NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20587 | 2g35 | 7061 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LEU 1 HT1 LEU 1 90.520 15.153 -8.241 2 2H LEU 1 HT2 LEU 1 91.487 15.571 -9.574 3 3H LEU 1 HT3 LEU 1 92.209 15.050 -8.127 4 HA LEU 1 HA LEU 1 90.884 13.490 -10.219 5 1HB LEU 1 HB2 LEU 1 93.266 13.127 -8.376 6 2HB LEU 1 HB1 LEU 1 92.694 11.874 -9.471 7 HG LEU 1 HG LEU 1 92.907 13.669 -11.335 8 1HD1 LEU 1 HD11 LEU 1 94.797 15.304 -10.779 9 2HD1 LEU 1 HD12 LEU 1 94.483 14.945 -9.083 10 3HD1 LEU 1 HD13 LEU 1 93.225 15.676 -10.079 11 1HD2 LEU 1 HD21 LEU 1 95.423 13.245 -11.460 12 2HD2 LEU 1 HD22 LEU 1 94.408 11.809 -11.320 13 3HD2 LEU 1 HD23 LEU 1 95.266 12.424 -9.907 14 H LYS 2 HN LYS 2 89.019 14.009 -8.324 15 HA LYS 2 HA LYS 2 89.009 12.146 -6.137 16 1HB LYS 2 HB2 LYS 2 86.881 13.792 -7.502 17 2HB LYS 2 HB1 LYS 2 86.486 12.679 -6.191 18 1HG LYS 2 HG2 LYS 2 86.907 15.017 -5.409 19 2HG LYS 2 HG1 LYS 2 87.987 13.834 -4.681 20 1HD LYS 2 HD2 LYS 2 89.813 14.495 -6.037 21 2HD LYS 2 HD1 LYS 2 88.767 15.357 -7.166 22 1HE LYS 2 HE2 LYS 2 88.205 16.975 -5.360 23 2HE LYS 2 HE1 LYS 2 89.335 16.141 -4.294 24 1HZ LYS 2 HZ1 LYS 2 90.595 16.703 -6.748 25 2HZ LYS 2 HZ2 LYS 2 91.002 17.254 -5.193 26 3HZ LYS 2 HZ3 LYS 2 89.903 18.130 -6.147 27 H THR 3 HN THR 3 89.234 11.354 -9.204 28 HA THR 3 HA THR 3 88.045 8.747 -8.870 29 HB THR 3 HB THR 3 85.934 9.731 -9.332 30 HG1 THR 3 HG1 THR 3 87.006 8.095 -10.985 31 1HG2 THR 3 HG21 THR 3 86.613 11.944 -9.977 32 2HG2 THR 3 HG22 THR 3 85.657 11.288 -11.305 33 3HG2 THR 3 HG23 THR 3 87.416 11.336 -11.424 34 H TYR 4 HN TYR 4 90.535 9.006 -9.427 35 HA TYR 4 HA TYR 4 90.808 8.518 -12.373 36 1HB TYR 4 HB2 TYR 4 91.695 10.798 -11.559 37 2HB TYR 4 HB1 TYR 4 92.940 9.879 -10.719 38 HD1 TYR 4 HD1 TYR 4 91.915 11.277 -13.852 39 HD2 TYR 4 HD2 TYR 4 94.324 8.193 -12.097 40 HE1 TYR 4 HE1 TYR 4 93.194 11.077 -15.968 41 HE2 TYR 4 HE2 TYR 4 95.608 7.989 -14.210 42 HH TYR 4 HH TYR 4 95.062 10.211 -16.910 43 H GLY 5 HN GLY 5 91.242 6.364 -12.461 44 1HA GLY 5 HA2 GLY 5 92.559 4.420 -12.203 45 2HA GLY 5 HA1 GLY 5 93.630 5.334 -11.140 46 H VAL 6 HN VAL 6 90.614 5.904 -9.991 47 HA VAL 6 HA VAL 6 90.967 3.938 -7.811 48 HB VAL 6 HB VAL 6 88.769 6.001 -8.082 49 1HG1 VAL 6 HG11 VAL 6 88.683 4.153 -6.332 50 2HG1 VAL 6 HG12 VAL 6 88.625 5.799 -5.700 51 3HG1 VAL 6 HG13 VAL 6 90.127 4.876 -5.623 52 1HG2 VAL 6 HG21 VAL 6 91.614 6.300 -7.082 53 2HG2 VAL 6 HG22 VAL 6 90.325 7.427 -6.660 54 3HG2 VAL 6 HG23 VAL 6 90.815 7.238 -8.344 55 H SER 7 HN SER 7 89.795 2.076 -7.687 56 HA SER 7 HA SER 7 87.763 1.555 -9.771 57 1HB SER 7 HB2 SER 7 88.642 -0.368 -7.625 58 2HB SER 7 HB1 SER 7 87.997 -0.725 -9.222 59 HG SER 7 HG SER 7 89.980 0.511 -9.932 60 H PHE 8 HN PHE 8 85.688 1.963 -9.350 61 HA PHE 8 HA PHE 8 84.735 2.267 -6.549 62 1HB PHE 8 HB2 PHE 8 82.677 3.124 -7.663 63 2HB PHE 8 HB1 PHE 8 84.120 4.013 -8.139 64 HD1 PHE 8 HD1 PHE 8 84.865 4.041 -10.406 65 HD2 PHE 8 HD2 PHE 8 81.762 1.331 -9.189 66 HE1 PHE 8 HE1 PHE 8 84.419 3.485 -12.781 67 HE2 PHE 8 HE2 PHE 8 81.317 0.774 -11.564 68 HZ PHE 8 HZ PHE 8 82.645 1.851 -13.360 69 H PHE 9 HN PHE 9 83.230 0.871 -5.633 70 HA PHE 9 HA PHE 9 82.294 -1.466 -7.282 71 1HB PHE 9 HB2 PHE 9 83.458 -1.346 -4.498 72 2HB PHE 9 HB1 PHE 9 82.332 -2.634 -4.922 73 HD1 PHE 9 HD1 PHE 9 85.530 -1.011 -5.976 74 HD2 PHE 9 HD2 PHE 9 83.056 -4.519 -6.152 75 HE1 PHE 9 HE1 PHE 9 87.369 -2.256 -7.080 76 HE2 PHE 9 HE2 PHE 9 84.896 -5.764 -7.256 77 HZ PHE 9 HZ PHE 9 87.052 -4.630 -7.721 78 H LEU 10 HN LEU 10 80.089 -1.714 -7.260 79 HA LEU 10 HA LEU 10 78.472 0.168 -5.717 80 1HB LEU 10 HB2 LEU 10 77.745 -0.472 -7.957 81 2HB LEU 10 HB1 LEU 10 77.692 -2.165 -7.488 82 HG LEU 10 HG LEU 10 76.076 -0.545 -5.630 83 1HD1 LEU 10 HD11 LEU 10 75.144 -0.526 -8.511 84 2HD1 LEU 10 HD12 LEU 10 75.864 0.871 -7.714 85 3HD1 LEU 10 HD13 LEU 10 74.345 0.203 -7.117 86 1HD2 LEU 10 HD21 LEU 10 75.457 -2.818 -7.548 87 2HD2 LEU 10 HD22 LEU 10 74.305 -2.167 -6.383 88 3HD2 LEU 10 HD23 LEU 10 75.782 -2.946 -5.820 89 H VAL 11 HN VAL 11 78.460 -0.207 -3.585 90 HA VAL 11 HA VAL 11 77.761 -2.965 -2.628 91 HB VAL 11 HB VAL 11 78.873 -2.424 -0.555 92 1HG1 VAL 11 HG11 VAL 11 81.123 -2.386 -1.301 93 2HG1 VAL 11 HG12 VAL 11 80.735 -1.371 -2.691 94 3HG1 VAL 11 HG13 VAL 11 80.235 -3.061 -2.667 95 1HG2 VAL 11 HG21 VAL 11 78.360 -0.126 -0.213 96 2HG2 VAL 11 HG22 VAL 11 79.066 0.342 -1.758 97 3HG2 VAL 11 HG23 VAL 11 80.110 -0.163 -0.432 98 H LYS 12 HN LYS 12 76.144 -3.035 -0.951 99 HA LYS 12 HA LYS 12 74.377 -0.610 -0.941 100 1HB LYS 12 HB2 LYS 12 73.889 -3.511 -1.144 101 2HB LYS 12 HB1 LYS 12 72.874 -2.736 0.068 102 1HG LYS 12 HG2 LYS 12 71.975 -1.199 -1.540 103 2HG LYS 12 HG1 LYS 12 73.172 -1.672 -2.756 104 1HD LYS 12 HD2 LYS 12 72.213 -3.981 -2.723 105 2HD LYS 12 HD1 LYS 12 70.968 -3.407 -1.615 106 1HE LYS 12 HE2 LYS 12 70.055 -3.347 -3.857 107 2HE LYS 12 HE1 LYS 12 70.326 -1.686 -3.330 108 1HZ LYS 12 HZ1 LYS 12 72.648 -2.767 -4.555 109 2HZ LYS 12 HZ2 LYS 12 71.770 -1.370 -4.961 110 3HZ LYS 12 HZ3 LYS 12 71.317 -2.878 -5.600 111 H GLU 13 HN GLU 13 73.637 0.188 1.007 112 HA GLU 13 HA GLU 13 75.057 -0.836 3.451 113 1HB GLU 13 HB2 GLU 13 74.037 1.956 2.866 114 2HB GLU 13 HB1 GLU 13 74.903 1.451 4.314 115 1HG GLU 13 HG2 GLU 13 76.771 0.686 2.717 116 2HG GLU 13 HG1 GLU 13 75.940 1.627 1.485 117 H LYS 14 HN LYS 14 73.850 -0.565 5.469 118 HA LYS 14 HA LYS 14 70.905 -0.937 5.077 119 1HB LYS 14 HB2 LYS 14 72.898 -2.030 7.061 120 2HB LYS 14 HB1 LYS 14 71.198 -1.916 7.513 121 1HG LYS 14 HG2 LYS 14 71.842 -4.137 6.528 122 2HG LYS 14 HG1 LYS 14 70.540 -3.322 5.661 123 1HD LYS 14 HD2 LYS 14 71.926 -2.732 3.857 124 2HD LYS 14 HD1 LYS 14 73.404 -2.923 4.804 125 1HE LYS 14 HE2 LYS 14 71.600 -5.275 4.225 126 2HE LYS 14 HE1 LYS 14 72.854 -4.771 3.093 127 1HZ LYS 14 HZ1 LYS 14 74.269 -5.930 4.314 128 2HZ LYS 14 HZ2 LYS 14 73.111 -6.209 5.526 129 3HZ LYS 14 HZ3 LYS 14 74.060 -4.800 5.561 130 H MET 15 HN MET 15 70.005 1.045 5.387 131 HA MET 15 HA MET 15 71.076 3.049 7.147 132 1HB MET 15 HB2 MET 15 68.589 2.669 5.532 133 2HB MET 15 HB1 MET 15 68.552 3.894 6.782 134 1HG MET 15 HG2 MET 15 69.309 4.607 4.418 135 2HG MET 15 HG1 MET 15 70.268 5.155 5.789 136 1HE MET 15 HE1 MET 15 72.737 4.918 5.894 137 2HE MET 15 HE2 MET 15 72.282 5.694 4.379 138 3HE MET 15 HE3 MET 15 73.576 4.498 4.394 139 H LYS 16 HN LYS 16 70.228 3.770 9.138 140 HA LYS 16 HA LYS 16 70.038 2.773 11.390 141 1HB LYS 16 HB2 LYS 16 67.188 3.471 10.849 142 2HB LYS 16 HB1 LYS 16 68.238 3.974 12.164 143 1HG LYS 16 HG2 LYS 16 68.246 5.956 10.994 144 2HG LYS 16 HG1 LYS 16 69.559 5.168 10.136 145 1HD LYS 16 HD2 LYS 16 68.316 5.660 8.267 146 2HD LYS 16 HD1 LYS 16 67.398 4.220 8.709 147 1HE LYS 16 HE2 LYS 16 66.719 7.040 9.611 148 2HE LYS 16 HE1 LYS 16 65.941 6.198 8.273 149 1HZ LYS 16 HZ1 LYS 16 65.768 5.671 11.152 150 2HZ LYS 16 HZ2 LYS 16 65.606 4.366 10.077 151 3HZ LYS 16 HZ3 LYS 16 64.540 5.685 9.983 152 H GLY 17 HN GLY 17 66.979 1.872 9.814 153 1HA GLY 17 HA2 GLY 17 67.460 -0.965 10.494 154 2HA GLY 17 HA1 GLY 17 66.102 -0.182 11.306 155 H LYS 18 HN LYS 18 66.460 1.277 8.323 156 HA LYS 18 HA LYS 18 63.998 0.416 7.286 157 1HB LYS 18 HB2 LYS 18 66.248 0.892 5.334 158 2HB LYS 18 HB1 LYS 18 64.573 1.432 5.266 159 1HG LYS 18 HG2 LYS 18 66.714 2.480 7.104 160 2HG LYS 18 HG1 LYS 18 66.006 3.330 5.744 161 1HD LYS 18 HD2 LYS 18 64.539 2.473 8.264 162 2HD LYS 18 HD1 LYS 18 64.992 4.111 7.830 163 1HE LYS 18 HE2 LYS 18 63.621 3.662 5.650 164 2HE LYS 18 HE1 LYS 18 62.892 2.359 6.590 165 1HZ LYS 18 HZ1 LYS 18 63.008 5.212 7.400 166 2HZ LYS 18 HZ2 LYS 18 62.293 3.954 8.291 167 3HZ LYS 18 HZ3 LYS 18 61.639 4.416 6.792 168 H ASN 19 HN ASN 19 63.296 -1.540 6.569 169 HA ASN 19 HA ASN 19 65.012 -3.833 6.405 170 1HB ASN 19 HB2 ASN 19 63.054 -4.776 5.033 171 2HB ASN 19 HB1 ASN 19 62.666 -4.240 6.666 172 1HD2 ASN 19 HD21 ASN 19 62.301 -3.438 3.233 173 2HD2 ASN 19 HD22 ASN 19 61.137 -2.225 3.461 174 H LYS 20 HN LYS 20 64.648 -1.126 4.554 175 HA LYS 20 HA LYS 20 65.186 -2.248 1.928 176 1HB LYS 20 HB2 LYS 20 64.211 0.171 2.911 177 2HB LYS 20 HB1 LYS 20 65.789 0.612 2.288 178 1HG LYS 20 HG2 LYS 20 64.398 0.870 0.417 179 2HG LYS 20 HG1 LYS 20 65.088 -0.727 0.178 180 1HD LYS 20 HD2 LYS 20 62.838 -1.211 -0.174 181 2HD LYS 20 HD1 LYS 20 62.953 -1.516 1.559 182 1HE LYS 20 HE2 LYS 20 61.039 -0.140 1.339 183 2HE LYS 20 HE1 LYS 20 62.307 0.977 1.842 184 1HZ LYS 20 HZ1 LYS 20 61.067 0.642 -0.799 185 2HZ LYS 20 HZ2 LYS 20 62.665 1.210 -0.702 186 3HZ LYS 20 HZ3 LYS 20 61.408 2.067 0.055 187 H LEU 21 HN LEU 21 67.103 -0.849 0.826 188 HA LEU 21 HA LEU 21 69.579 -1.018 2.478 189 1HB LEU 21 HB2 LEU 21 69.484 -2.111 -0.354 190 2HB LEU 21 HB1 LEU 21 70.759 -2.297 0.840 191 HG LEU 21 HG LEU 21 67.995 -3.444 1.287 192 1HD1 LEU 21 HD11 LEU 21 68.797 -5.564 0.433 193 2HD1 LEU 21 HD12 LEU 21 70.384 -4.872 0.103 194 3HD1 LEU 21 HD13 LEU 21 68.980 -4.344 -0.827 195 1HD2 LEU 21 HD21 LEU 21 69.497 -3.216 3.246 196 2HD2 LEU 21 HD22 LEU 21 70.737 -4.116 2.381 197 3HD2 LEU 21 HD23 LEU 21 69.232 -4.909 2.838 198 H VAL 22 HN VAL 22 71.335 0.289 1.483 199 HA VAL 22 HA VAL 22 70.257 2.353 -0.426 200 HB VAL 22 HB VAL 22 71.965 2.621 2.036 201 1HG1 VAL 22 HG11 VAL 22 73.260 3.868 0.478 202 2HG1 VAL 22 HG12 VAL 22 72.235 5.068 1.264 203 3HG1 VAL 22 HG13 VAL 22 71.826 4.477 -0.348 204 1HG2 VAL 22 HG21 VAL 22 69.427 3.912 0.997 205 2HG2 VAL 22 HG22 VAL 22 70.338 4.581 2.343 206 3HG2 VAL 22 HG23 VAL 22 69.644 2.965 2.468 207 HA PRO 23 HA PRO 23 73.733 0.604 -2.830 208 1HB PRO 23 HB2 PRO 23 73.157 2.825 -4.696 209 2HB PRO 23 HB1 PRO 23 73.163 1.100 -5.015 210 1HG PRO 23 HG2 PRO 23 70.867 2.652 -4.846 211 2HG PRO 23 HG1 PRO 23 70.902 0.902 -4.570 212 1HD PRO 23 HD2 PRO 23 70.599 3.089 -2.590 213 2HD PRO 23 HD1 PRO 23 70.179 1.365 -2.442 214 H ARG 24 HN ARG 24 75.877 1.299 -3.097 215 HA ARG 24 HA ARG 24 76.600 4.129 -2.695 216 1HB ARG 24 HB2 ARG 24 76.315 2.975 -0.387 217 2HB ARG 24 HB1 ARG 24 77.766 2.075 -0.807 218 1HG ARG 24 HG2 ARG 24 78.708 3.891 0.304 219 2HG ARG 24 HG1 ARG 24 78.740 4.486 -1.354 220 1HD ARG 24 HD2 ARG 24 77.808 6.266 -0.074 221 2HD ARG 24 HD1 ARG 24 76.423 5.498 -0.849 222 HE ARG 24 HE ARG 24 76.598 4.185 1.567 223 1HH1 ARG 24 HH21 ARG 24 76.504 7.474 0.534 224 2HH1 ARG 24 HH22 ARG 24 75.684 8.035 1.953 225 1HH2 ARG 24 HH11 ARG 24 75.526 4.900 3.426 226 2HH2 ARG 24 HH12 ARG 24 75.131 6.579 3.589 227 H LEU 25 HN LEU 25 78.729 4.532 -3.493 228 HA LEU 25 HA LEU 25 79.962 2.226 -4.953 229 1HB LEU 25 HB2 LEU 25 80.130 5.217 -5.322 230 2HB LEU 25 HB1 LEU 25 81.161 4.099 -6.196 231 HG LEU 25 HG LEU 25 78.139 3.882 -6.239 232 1HD1 LEU 25 HD11 LEU 25 78.946 6.147 -7.056 233 2HD1 LEU 25 HD12 LEU 25 78.092 5.191 -8.264 234 3HD1 LEU 25 HD13 LEU 25 79.851 5.295 -8.303 235 1HD2 LEU 25 HD21 LEU 25 79.175 1.895 -7.077 236 2HD2 LEU 25 HD22 LEU 25 80.391 2.807 -7.959 237 3HD2 LEU 25 HD23 LEU 25 78.716 2.817 -8.501 238 H LEU 26 HN LEU 26 82.093 1.667 -4.452 239 HA LEU 26 HA LEU 26 83.398 3.192 -2.220 240 1HB LEU 26 HB2 LEU 26 82.442 0.957 -1.579 241 2HB LEU 26 HB1 LEU 26 83.528 0.213 -2.745 242 HG LEU 26 HG LEU 26 85.436 1.404 -1.472 243 1HD1 LEU 26 HD11 LEU 26 84.828 1.728 0.992 244 2HD1 LEU 26 HD12 LEU 26 83.143 1.739 0.477 245 3HD1 LEU 26 HD13 LEU 26 84.254 2.973 -0.110 246 1HD2 LEU 26 HD21 LEU 26 84.879 -1.055 -1.358 247 2HD2 LEU 26 HD22 LEU 26 83.878 -0.703 0.050 248 3HD2 LEU 26 HD23 LEU 26 85.617 -0.418 0.112 249 H GLY 27 HN GLY 27 85.020 4.265 -3.161 250 1HA GLY 27 HA2 GLY 27 86.508 3.239 -5.437 251 2HA GLY 27 HA1 GLY 27 86.774 4.775 -4.641 252 H ILE 28 HN ILE 28 88.226 1.922 -5.268 253 HA ILE 28 HA ILE 28 89.732 1.812 -2.679 254 HB ILE 28 HB ILE 28 89.930 -0.130 -5.003 255 1HG1 ILE 28 HG12 ILE 28 87.614 -0.188 -4.325 256 2HG1 ILE 28 HG11 ILE 28 88.406 -1.585 -3.599 257 1HG2 ILE 28 HG21 ILE 28 90.591 -0.357 -2.054 258 2HG2 ILE 28 HG22 ILE 28 91.761 -0.161 -3.358 259 3HG2 ILE 28 HG23 ILE 28 90.796 -1.633 -3.252 260 1HD1 ILE 28 HD11 ILE 28 88.768 -0.077 -1.538 261 2HD1 ILE 28 HD12 ILE 28 87.132 -0.656 -1.840 262 3HD1 ILE 28 HD13 ILE 28 87.578 0.991 -2.277 263 H THR 29 HN THR 29 91.471 3.185 -2.762 264 HA THR 29 HA THR 29 92.793 3.689 -5.373 265 HB THR 29 HB THR 29 93.630 4.958 -2.772 266 HG1 THR 29 HG1 THR 29 91.697 5.694 -2.551 267 1HG2 THR 29 HG21 THR 29 93.952 6.912 -4.300 268 2HG2 THR 29 HG22 THR 29 93.446 5.897 -5.649 269 3HG2 THR 29 HG23 THR 29 94.919 5.513 -4.760 270 H LYS 30 HN LYS 30 95.271 3.821 -5.222 271 HA LYS 30 HA LYS 30 96.264 1.230 -4.452 272 1HB LYS 30 HB2 LYS 30 98.514 2.357 -5.062 273 2HB LYS 30 HB1 LYS 30 97.306 2.199 -6.338 274 1HG LYS 30 HG2 LYS 30 96.637 4.472 -6.140 275 2HG LYS 30 HG1 LYS 30 97.480 4.670 -4.608 276 1HD LYS 30 HD2 LYS 30 98.815 5.721 -6.330 277 2HD LYS 30 HD1 LYS 30 99.645 4.251 -5.825 278 1HE LYS 30 HE2 LYS 30 98.976 3.068 -7.768 279 2HE LYS 30 HE1 LYS 30 97.733 4.255 -8.166 280 1HZ LYS 30 HZ1 LYS 30 99.647 5.882 -8.375 281 2HZ LYS 30 HZ2 LYS 30 99.497 4.716 -9.601 282 3HZ LYS 30 HZ3 LYS 30 100.670 4.530 -8.385 283 H GLU 31 HN GLU 31 95.965 4.236 -2.813 284 HA GLU 31 HA GLU 31 97.549 3.142 -0.523 285 1HB GLU 31 HB2 GLU 31 97.659 5.972 -1.589 286 2HB GLU 31 HB1 GLU 31 98.441 5.413 -0.114 287 1HG GLU 31 HG2 GLU 31 99.535 3.628 -1.682 288 2HG GLU 31 HG1 GLU 31 99.091 4.739 -2.966 289 H CYS 32 HN CYS 32 94.549 3.831 -1.392 290 HA CYS 32 HA CYS 32 93.706 4.378 1.316 291 1HB CYS 32 HB2 CYS 32 92.504 6.633 0.306 292 2HB CYS 32 HB1 CYS 32 94.013 6.659 1.199 293 HG CYS 32 HG CYS 32 94.778 6.190 -1.611 294 H VAL 33 HN VAL 33 91.339 4.554 1.487 295 HA VAL 33 HA VAL 33 89.879 3.429 -0.890 296 HB VAL 33 HB VAL 33 89.530 2.816 2.069 297 1HG1 VAL 33 HG11 VAL 33 87.320 2.961 1.228 298 2HG1 VAL 33 HG12 VAL 33 87.712 1.245 1.137 299 3HG1 VAL 33 HG13 VAL 33 87.772 2.242 -0.316 300 1HG2 VAL 33 HG21 VAL 33 89.805 0.436 1.116 301 2HG2 VAL 33 HG22 VAL 33 91.252 1.440 1.193 302 3HG2 VAL 33 HG23 VAL 33 90.410 1.222 -0.341 303 H MET 34 HN MET 34 87.838 4.453 -1.288 304 HA MET 34 HA MET 34 87.186 6.730 0.567 305 1HB MET 34 HB2 MET 34 86.694 6.979 -2.379 306 2HB MET 34 HB1 MET 34 87.016 8.238 -1.194 307 1HG MET 34 HG2 MET 34 89.371 7.093 -1.001 308 2HG MET 34 HG1 MET 34 88.957 6.407 -2.573 309 1HE MET 34 HE1 MET 34 90.680 7.582 -4.143 310 2HE MET 34 HE2 MET 34 91.384 7.798 -2.543 311 3HE MET 34 HE3 MET 34 91.361 9.147 -3.675 312 H ARG 35 HN ARG 35 85.046 7.283 0.819 313 HA ARG 35 HA ARG 35 83.120 5.128 0.035 314 1HB ARG 35 HB2 ARG 35 82.960 7.477 1.943 315 2HB ARG 35 HB1 ARG 35 81.552 6.521 1.515 316 1HG ARG 35 HG2 ARG 35 82.972 4.467 2.239 317 2HG ARG 35 HG1 ARG 35 84.023 5.649 3.019 318 1HD ARG 35 HD2 ARG 35 81.208 4.880 3.693 319 2HD ARG 35 HD1 ARG 35 82.560 5.221 4.770 320 HE ARG 35 HE ARG 35 82.014 7.665 3.556 321 1HH1 ARG 35 HH21 ARG 35 80.252 5.267 5.299 322 2HH1 ARG 35 HH22 ARG 35 79.140 6.398 5.995 323 1HH2 ARG 35 HH11 ARG 35 80.570 9.155 4.461 324 2HH2 ARG 35 HH12 ARG 35 79.319 8.596 5.519 325 H VAL 36 HN VAL 36 82.251 5.476 -1.958 326 HA VAL 36 HA VAL 36 81.680 8.295 -2.781 327 HB VAL 36 HB VAL 36 82.095 5.814 -4.465 328 1HG1 VAL 36 HG11 VAL 36 82.053 7.362 -6.371 329 2HG1 VAL 36 HG12 VAL 36 81.789 8.723 -5.284 330 3HG1 VAL 36 HG13 VAL 36 80.539 7.497 -5.480 331 1HG2 VAL 36 HG21 VAL 36 84.103 6.870 -3.241 332 2HG2 VAL 36 HG22 VAL 36 83.866 8.252 -4.309 333 3HG2 VAL 36 HG23 VAL 36 84.243 6.670 -4.987 334 H ASP 37 HN ASP 37 79.587 8.859 -2.908 335 HA ASP 37 HA ASP 37 77.497 6.981 -2.278 336 1HB ASP 37 HB2 ASP 37 77.533 9.538 -1.889 337 2HB ASP 37 HB1 ASP 37 77.066 9.673 -3.583 338 H GLU 38 HN GLU 38 75.884 6.148 -3.652 339 HA GLU 38 HA GLU 38 76.728 5.826 -6.469 340 1HB GLU 38 HB2 GLU 38 75.884 3.961 -4.879 341 2HB GLU 38 HB1 GLU 38 74.295 4.652 -5.147 342 1HG GLU 38 HG2 GLU 38 76.112 3.793 -7.405 343 2HG GLU 38 HG1 GLU 38 74.918 2.727 -6.665 344 H LYS 39 HN LYS 39 74.623 7.536 -4.491 345 HA LYS 39 HA LYS 39 72.588 8.209 -6.422 346 1HB LYS 39 HB2 LYS 39 72.283 8.226 -3.948 347 2HB LYS 39 HB1 LYS 39 73.385 9.592 -3.864 348 1HG LYS 39 HG2 LYS 39 71.868 10.867 -5.387 349 2HG LYS 39 HG1 LYS 39 70.731 9.519 -5.327 350 1HD LYS 39 HD2 LYS 39 70.796 9.777 -2.778 351 2HD LYS 39 HD1 LYS 39 71.608 11.317 -3.063 352 1HE LYS 39 HE2 LYS 39 68.802 10.503 -3.777 353 2HE LYS 39 HE1 LYS 39 69.361 11.969 -2.970 354 1HZ LYS 39 HZ1 LYS 39 69.280 11.323 -5.812 355 2HZ LYS 39 HZ2 LYS 39 70.609 12.235 -5.273 356 3HZ LYS 39 HZ3 LYS 39 69.027 12.806 -5.029 357 H THR 40 HN THR 40 75.254 10.031 -4.926 358 HA THR 40 HA THR 40 75.065 12.053 -7.109 359 HB THR 40 HB THR 40 76.598 13.373 -5.629 360 HG1 THR 40 HG1 THR 40 76.814 12.543 -3.487 361 1HG2 THR 40 HG21 THR 40 74.142 12.384 -4.170 362 2HG2 THR 40 HG22 THR 40 74.068 13.479 -5.550 363 3HG2 THR 40 HG23 THR 40 74.882 13.981 -4.068 364 H LYS 41 HN LYS 41 76.824 9.238 -6.443 365 HA LYS 41 HA LYS 41 78.886 8.457 -7.295 366 1HB LYS 41 HB2 LYS 41 78.536 10.625 -9.367 367 2HB LYS 41 HB1 LYS 41 79.345 9.069 -9.556 368 1HG LYS 41 HG2 LYS 41 77.092 7.988 -9.027 369 2HG LYS 41 HG1 LYS 41 76.382 9.587 -9.229 370 1HD LYS 41 HD2 LYS 41 78.079 8.209 -11.331 371 2HD LYS 41 HD1 LYS 41 76.317 8.172 -11.310 372 1HE LYS 41 HE2 LYS 41 78.108 10.591 -11.650 373 2HE LYS 41 HE1 LYS 41 76.939 9.945 -12.799 374 1HZ LYS 41 HZ1 LYS 41 75.455 10.371 -10.574 375 2HZ LYS 41 HZ2 LYS 41 75.542 11.412 -11.914 376 3HZ LYS 41 HZ3 LYS 41 76.525 11.687 -10.555 377 H GLU 42 HN GLU 42 78.774 10.886 -5.438 378 HA GLU 42 HA GLU 42 81.359 12.197 -6.183 379 1HB GLU 42 HB2 GLU 42 78.926 13.159 -5.054 380 2HB GLU 42 HB1 GLU 42 80.136 13.295 -3.787 381 1HG GLU 42 HG2 GLU 42 80.121 15.345 -5.087 382 2HG GLU 42 HG1 GLU 42 81.618 14.480 -5.412 383 H VAL 43 HN VAL 43 82.925 12.508 -4.371 384 HA VAL 43 HA VAL 43 83.265 10.002 -2.881 385 HB VAL 43 HB VAL 43 84.919 12.524 -3.146 386 1HG1 VAL 43 HG11 VAL 43 85.343 11.835 -0.900 387 2HG1 VAL 43 HG12 VAL 43 86.664 11.162 -1.855 388 3HG1 VAL 43 HG13 VAL 43 85.330 10.129 -1.344 389 1HG2 VAL 43 HG21 VAL 43 84.786 10.701 -4.967 390 2HG2 VAL 43 HG22 VAL 43 85.653 9.672 -3.827 391 3HG2 VAL 43 HG23 VAL 43 86.395 11.161 -4.410 392 H ILE 44 HN ILE 44 82.388 9.694 -0.905 393 HA ILE 44 HA ILE 44 81.456 12.047 0.636 394 HB ILE 44 HB ILE 44 80.991 9.107 1.176 395 1HG1 ILE 44 HG12 ILE 44 80.100 10.091 -1.079 396 2HG1 ILE 44 HG11 ILE 44 78.986 9.201 -0.054 397 1HG2 ILE 44 HG21 ILE 44 79.801 11.666 2.251 398 2HG2 ILE 44 HG22 ILE 44 80.609 10.383 3.149 399 3HG2 ILE 44 HG23 ILE 44 79.015 10.099 2.449 400 1HD1 ILE 44 HD11 ILE 44 78.348 11.586 -1.073 401 2HD1 ILE 44 HD12 ILE 44 79.179 12.160 0.369 402 3HD1 ILE 44 HD13 ILE 44 77.790 11.089 0.522 403 H GLN 45 HN GLN 45 83.795 9.416 0.806 404 HA GLN 45 HA GLN 45 85.042 10.790 3.115 405 1HB GLN 45 HB2 GLN 45 83.304 8.871 3.781 406 2HB GLN 45 HB1 GLN 45 84.676 7.828 3.425 407 1HG GLN 45 HG2 GLN 45 84.955 8.274 5.704 408 2HG GLN 45 HG1 GLN 45 86.020 9.456 4.954 409 1HE2 GLN 45 HE21 GLN 45 85.813 11.053 6.633 410 2HE2 GLN 45 HE22 GLN 45 84.359 11.875 6.926 411 H GLU 46 HN GLU 46 87.143 9.783 3.656 412 HA GLU 46 HA GLU 46 88.477 8.332 1.437 413 1HB GLU 46 HB2 GLU 46 89.185 11.021 2.580 414 2HB GLU 46 HB1 GLU 46 90.477 9.965 2.007 415 1HG GLU 46 HG2 GLU 46 89.353 9.788 -0.187 416 2HG GLU 46 HG1 GLU 46 88.084 10.876 0.380 417 H TRP 47 HN TRP 47 90.051 6.882 2.175 418 HA TRP 47 HA TRP 47 90.740 6.920 5.079 419 1HB TRP 47 HB2 TRP 47 89.572 4.613 3.524 420 2HB TRP 47 HB1 TRP 47 90.427 4.393 5.044 421 HD1 TRP 47 HD1 TRP 47 87.070 4.920 3.743 422 HE1 TRP 47 HE1 TRP 47 85.460 5.711 5.595 423 HE3 TRP 47 HE3 TRP 47 90.437 6.195 7.369 424 HZ2 TRP 47 HZ2 TRP 47 85.575 6.738 8.243 425 HZ3 TRP 47 HZ3 TRP 47 89.655 7.078 9.549 426 HH2 TRP 47 HH2 TRP 47 87.230 7.352 9.992 427 H SER 48 HN SER 48 92.726 5.796 5.544 428 HA SER 48 HA SER 48 94.545 5.655 3.203 429 1HB SER 48 HB2 SER 48 95.258 5.311 6.111 430 2HB SER 48 HB1 SER 48 96.339 5.704 4.783 431 HG SER 48 HG SER 48 95.458 7.461 6.246 432 H LEU 49 HN LEU 49 95.545 3.734 2.556 433 HA LEU 49 HA LEU 49 94.214 1.273 3.205 434 1HB LEU 49 HB2 LEU 49 96.449 2.160 1.476 435 2HB LEU 49 HB1 LEU 49 96.645 0.513 2.066 436 HG LEU 49 HG LEU 49 94.016 1.407 0.880 437 1HD1 LEU 49 HD11 LEU 49 96.532 0.573 -0.571 438 2HD1 LEU 49 HD12 LEU 49 95.480 1.949 -0.905 439 3HD1 LEU 49 HD13 LEU 49 94.935 0.314 -1.275 440 1HD2 LEU 49 HD21 LEU 49 93.638 -0.913 0.588 441 2HD2 LEU 49 HD22 LEU 49 94.422 -0.808 2.163 442 3HD2 LEU 49 HD23 LEU 49 95.350 -1.304 0.749 443 H THR 50 HN THR 50 96.869 2.992 4.613 444 HA THR 50 HA THR 50 97.956 0.683 6.030 445 HB THR 50 HB THR 50 99.394 2.327 7.145 446 HG1 THR 50 HG1 THR 50 98.214 4.078 7.497 447 1HG2 THR 50 HG21 THR 50 100.036 1.637 4.888 448 2HG2 THR 50 HG22 THR 50 100.428 3.341 5.123 449 3HG2 THR 50 HG23 THR 50 99.001 2.885 4.192 450 H ASN 51 HN ASN 51 95.195 2.529 6.401 451 HA ASN 51 HA ASN 51 95.200 2.503 9.363 452 1HB ASN 51 HB2 ASN 51 93.260 3.507 7.272 453 2HB ASN 51 HB1 ASN 51 92.834 3.442 8.983 454 1HD2 ASN 51 HD21 ASN 51 96.191 3.986 8.410 455 2HD2 ASN 51 HD22 ASN 51 96.195 5.659 8.696 456 H ILE 52 HN ILE 52 93.719 0.778 6.661 457 HA ILE 52 HA ILE 52 91.717 -0.630 8.088 458 HB ILE 52 HB ILE 52 93.406 -1.549 5.741 459 1HG1 ILE 52 HG12 ILE 52 90.609 -0.376 5.796 460 2HG1 ILE 52 HG11 ILE 52 92.057 0.577 5.473 461 1HG2 ILE 52 HG21 ILE 52 92.382 -3.485 6.715 462 2HG2 ILE 52 HG22 ILE 52 91.374 -3.033 5.340 463 3HG2 ILE 52 HG23 ILE 52 90.863 -2.629 6.979 464 1HD1 ILE 52 HD11 ILE 52 91.019 -1.763 3.854 465 2HD1 ILE 52 HD12 ILE 52 92.591 -1.010 3.593 466 3HD1 ILE 52 HD13 ILE 52 91.116 -0.078 3.344 467 H LYS 53 HN LYS 53 91.935 -2.022 9.766 468 HA LYS 53 HA LYS 53 94.592 -3.170 10.374 469 1HB LYS 53 HB2 LYS 53 93.344 -2.231 12.237 470 2HB LYS 53 HB1 LYS 53 91.947 -3.240 11.860 471 1HG LYS 53 HG2 LYS 53 93.123 -5.243 12.449 472 2HG LYS 53 HG1 LYS 53 94.665 -4.393 12.525 473 1HD LYS 53 HD2 LYS 53 93.863 -3.084 14.447 474 2HD LYS 53 HD1 LYS 53 92.305 -3.906 14.365 475 1HE LYS 53 HE2 LYS 53 93.295 -6.024 14.912 476 2HE LYS 53 HE1 LYS 53 94.925 -5.380 14.717 477 1HZ LYS 53 HZ1 LYS 53 92.967 -4.497 16.768 478 2HZ LYS 53 HZ2 LYS 53 94.558 -3.926 16.593 479 3HZ LYS 53 HZ3 LYS 53 94.275 -5.539 17.049 480 H ARG 54 HN ARG 54 91.265 -4.353 9.790 481 HA ARG 54 HA ARG 54 92.375 -6.790 8.537 482 1HB ARG 54 HB2 ARG 54 90.902 -8.242 10.001 483 2HB ARG 54 HB1 ARG 54 92.283 -7.534 10.836 484 1HG ARG 54 HG2 ARG 54 90.969 -6.058 12.065 485 2HG ARG 54 HG1 ARG 54 89.720 -5.976 10.832 486 1HD ARG 54 HD2 ARG 54 88.712 -7.967 11.524 487 2HD ARG 54 HD1 ARG 54 90.172 -8.546 12.325 488 HE ARG 54 HE ARG 54 89.445 -6.210 13.697 489 1HH1 ARG 54 HH21 ARG 54 88.010 -9.229 12.852 490 2HH1 ARG 54 HH22 ARG 54 86.982 -9.281 14.245 491 1HH2 ARG 54 HH11 ARG 54 88.114 -6.262 15.519 492 2HH2 ARG 54 HH12 ARG 54 87.041 -7.601 15.756 493 H TRP 55 HN TRP 55 90.353 -8.238 7.933 494 HA TRP 55 HA TRP 55 87.876 -6.748 7.515 495 1HB TRP 55 HB2 TRP 55 87.933 -7.012 5.024 496 2HB TRP 55 HB1 TRP 55 89.131 -5.869 5.628 497 HD1 TRP 55 HD1 TRP 55 88.855 -9.522 4.438 498 HE1 TRP 55 HE1 TRP 55 91.161 -10.263 3.546 499 HE3 TRP 55 HE3 TRP 55 91.617 -5.389 5.593 500 HZ2 TRP 55 HZ2 TRP 55 93.821 -9.228 3.338 501 HZ3 TRP 55 HZ3 TRP 55 94.029 -5.291 5.038 502 HH2 TRP 55 HH2 TRP 55 95.133 -7.206 3.913 503 H ALA 56 HN ALA 56 86.327 -8.172 6.177 504 HA ALA 56 HA ALA 56 86.991 -11.059 6.294 505 1HB ALA 56 HB1 ALA 56 84.660 -11.364 7.466 506 2HB ALA 56 HB2 ALA 56 84.908 -9.702 8.000 507 3HB ALA 56 HB3 ALA 56 86.065 -10.952 8.449 508 H ALA 57 HN ALA 57 86.500 -11.609 4.223 509 HA ALA 57 HA ALA 57 84.203 -10.281 2.866 510 1HB ALA 57 HB1 ALA 57 86.217 -10.237 1.571 511 2HB ALA 57 HB2 ALA 57 85.175 -11.451 0.832 512 3HB ALA 57 HB3 ALA 57 86.518 -11.949 1.861 513 H SER 58 HN SER 58 82.334 -11.327 2.583 514 HA SER 58 HA SER 58 82.292 -14.305 2.768 515 1HB SER 58 HB2 SER 58 80.677 -12.241 4.195 516 2HB SER 58 HB1 SER 58 79.823 -13.685 3.668 517 HG SER 58 HG SER 58 82.133 -14.448 4.702 518 HA PRO 59 HA PRO 59 80.236 -14.165 -1.134 519 1HB PRO 59 HB2 PRO 59 78.147 -16.039 -0.634 520 2HB PRO 59 HB1 PRO 59 79.752 -16.400 -1.282 521 1HG PRO 59 HG2 PRO 59 78.704 -16.852 1.455 522 2HG PRO 59 HG1 PRO 59 80.083 -17.615 0.646 523 1HD PRO 59 HD2 PRO 59 80.271 -15.682 2.665 524 2HD PRO 59 HD1 PRO 59 81.570 -16.101 1.532 525 H LYS 60 HN LYS 60 79.159 -12.446 1.263 526 HA LYS 60 HA LYS 60 76.625 -11.698 -0.098 527 1HB LYS 60 HB2 LYS 60 75.381 -11.703 1.970 528 2HB LYS 60 HB1 LYS 60 76.123 -13.287 1.783 529 1HG LYS 60 HG2 LYS 60 78.092 -12.235 3.166 530 2HG LYS 60 HG1 LYS 60 76.873 -11.070 3.659 531 1HD LYS 60 HD2 LYS 60 75.409 -13.069 4.274 532 2HD LYS 60 HD1 LYS 60 76.858 -14.057 4.074 533 1HE LYS 60 HE2 LYS 60 76.789 -13.510 6.394 534 2HE LYS 60 HE1 LYS 60 78.004 -12.439 5.697 535 1HZ LYS 60 HZ1 LYS 60 75.167 -11.647 6.001 536 2HZ LYS 60 HZ2 LYS 60 76.506 -10.649 5.688 537 3HZ LYS 60 HZ3 LYS 60 76.322 -11.376 7.213 538 H SER 61 HN SER 61 79.050 -10.895 2.383 539 HA SER 61 HA SER 61 78.764 -8.033 1.607 540 1HB SER 61 HB2 SER 61 78.420 -9.107 4.411 541 2HB SER 61 HB1 SER 61 78.683 -7.408 4.042 542 HG SER 61 HG SER 61 76.729 -8.585 2.525 543 H PHE 62 HN PHE 62 80.428 -6.666 2.671 544 HA PHE 62 HA PHE 62 82.995 -8.144 3.166 545 1HB PHE 62 HB2 PHE 62 83.010 -7.032 0.949 546 2HB PHE 62 HB1 PHE 62 82.600 -5.500 1.718 547 HD1 PHE 62 HD1 PHE 62 85.094 -8.274 2.141 548 HD2 PHE 62 HD2 PHE 62 84.382 -4.042 2.164 549 HE1 PHE 62 HE1 PHE 62 87.495 -7.878 2.594 550 HE2 PHE 62 HE2 PHE 62 86.791 -3.646 2.613 551 HZ PHE 62 HZ PHE 62 88.345 -5.562 2.829 552 H THR 63 HN THR 63 84.194 -7.366 4.936 553 HA THR 63 HA THR 63 83.085 -4.976 6.388 554 HB THR 63 HB THR 63 83.875 -7.676 7.501 555 HG1 THR 63 HG1 THR 63 81.755 -7.572 8.297 556 1HG2 THR 63 HG21 THR 63 83.549 -5.002 8.854 557 2HG2 THR 63 HG22 THR 63 84.825 -6.202 9.072 558 3HG2 THR 63 HG23 THR 63 83.212 -6.501 9.721 559 H LEU 64 HN LEU 64 84.611 -3.668 7.384 560 HA LEU 64 HA LEU 64 87.479 -4.486 7.242 561 1HB LEU 64 HB2 LEU 64 87.890 -1.975 6.588 562 2HB LEU 64 HB1 LEU 64 87.480 -3.139 5.333 563 HG LEU 64 HG LEU 64 85.198 -1.759 6.706 564 1HD1 LEU 64 HD11 LEU 64 87.143 -0.407 4.834 565 2HD1 LEU 64 HD12 LEU 64 86.484 0.192 6.355 566 3HD1 LEU 64 HD13 LEU 64 85.458 0.103 4.925 567 1HD2 LEU 64 HD21 LEU 64 85.248 -3.535 4.697 568 2HD2 LEU 64 HD22 LEU 64 85.485 -2.081 3.732 569 3HD2 LEU 64 HD23 LEU 64 84.054 -2.244 4.743 570 H ASP 65 HN ASP 65 88.801 -3.359 8.780 571 HA ASP 65 HA ASP 65 87.296 -1.852 10.898 572 1HB ASP 65 HB2 ASP 65 89.520 -3.796 11.533 573 2HB ASP 65 HB1 ASP 65 88.338 -3.092 12.630 574 H PHE 66 HN PHE 66 88.237 0.067 11.319 575 HA PHE 66 HA PHE 66 90.878 0.666 10.157 576 1HB PHE 66 HB2 PHE 66 88.890 2.353 11.707 577 2HB PHE 66 HB1 PHE 66 90.395 2.970 11.027 578 HD1 PHE 66 HD1 PHE 66 90.771 2.251 8.448 579 HD2 PHE 66 HD2 PHE 66 86.959 2.608 10.403 580 HE1 PHE 66 HE1 PHE 66 89.667 2.536 6.248 581 HE2 PHE 66 HE2 PHE 66 85.859 2.896 8.200 582 HZ PHE 66 HZ PHE 66 87.212 2.861 6.122 583 H GLY 67 HN GLY 67 89.880 -0.828 12.878 584 1HA GLY 67 HA2 GLY 67 91.217 -1.474 14.738 585 2HA GLY 67 HA1 GLY 67 92.400 -0.247 14.281 586 H ASP 68 HN ASP 68 89.727 1.483 14.073 587 HA ASP 68 HA ASP 68 89.990 2.507 16.846 588 1HB ASP 68 HB2 ASP 68 88.286 3.737 14.696 589 2HB ASP 68 HB1 ASP 68 89.101 4.522 16.044 590 H TYR 69 HN TYR 69 88.782 0.826 17.930 591 HA TYR 69 HA TYR 69 86.279 -0.197 17.290 592 1HB TYR 69 HB2 TYR 69 87.496 -0.949 19.262 593 2HB TYR 69 HB1 TYR 69 87.305 0.633 20.018 594 HD1 TYR 69 HD1 TYR 69 85.320 1.203 21.196 595 HD2 TYR 69 HD2 TYR 69 85.430 -2.310 18.731 596 HE1 TYR 69 HE1 TYR 69 83.119 0.500 22.102 597 HE2 TYR 69 HE2 TYR 69 83.229 -3.015 19.635 598 HH TYR 69 HH TYR 69 81.818 -2.649 21.525 599 H GLN 70 HN GLN 70 86.983 2.851 18.974 600 HA GLN 70 HA GLN 70 84.389 3.729 19.515 601 1HB GLN 70 HB2 GLN 70 85.347 6.078 19.061 602 2HB GLN 70 HB1 GLN 70 86.152 5.112 20.284 603 1HG GLN 70 HG2 GLN 70 87.803 4.394 18.543 604 2HG GLN 70 HG1 GLN 70 87.045 5.526 17.431 605 1HE2 GLN 70 HE21 GLN 70 88.451 5.492 20.753 606 2HE2 GLN 70 HE22 GLN 70 89.131 7.043 20.636 607 H ASP 71 HN ASP 71 86.214 4.237 16.482 608 HA ASP 71 HA ASP 71 84.098 5.528 15.090 609 1HB ASP 71 HB2 ASP 71 86.574 5.306 14.434 610 2HB ASP 71 HB1 ASP 71 86.131 3.733 13.784 611 H GLY 72 HN GLY 72 84.849 2.162 15.676 612 1HA GLY 72 HA2 GLY 72 83.318 0.345 15.593 613 2HA GLY 72 HA1 GLY 72 82.150 1.399 14.799 614 H TYR 73 HN TYR 73 82.702 -1.220 13.866 615 HA TYR 73 HA TYR 73 84.607 -1.123 11.672 616 1HB TYR 73 HB2 TYR 73 82.308 -3.060 11.998 617 2HB TYR 73 HB1 TYR 73 83.805 -3.314 11.113 618 HD1 TYR 73 HD1 TYR 73 86.005 -2.912 12.560 619 HD2 TYR 73 HD2 TYR 73 82.166 -3.966 14.153 620 HE1 TYR 73 HE1 TYR 73 87.101 -3.791 14.605 621 HE2 TYR 73 HE2 TYR 73 83.253 -4.846 16.201 622 HH TYR 73 HH TYR 73 85.173 -5.255 17.230 623 H TYR 74 HN TYR 74 83.824 -1.579 9.391 624 HA TYR 74 HA TYR 74 81.279 -0.163 8.742 625 1HB TYR 74 HB2 TYR 74 83.239 1.340 8.360 626 2HB TYR 74 HB1 TYR 74 83.916 0.125 7.279 627 HD1 TYR 74 HD1 TYR 74 81.035 2.416 7.786 628 HD2 TYR 74 HD2 TYR 74 83.135 -0.126 5.037 629 HE1 TYR 74 HE1 TYR 74 79.673 3.310 5.918 630 HE2 TYR 74 HE2 TYR 74 81.775 0.767 3.167 631 HH TYR 74 HH TYR 74 80.127 3.508 3.242 632 H SER 75 HN SER 75 80.097 -1.845 7.978 633 HA SER 75 HA SER 75 81.326 -3.655 5.943 634 1HB SER 75 HB2 SER 75 79.700 -5.369 6.754 635 2HB SER 75 HB1 SER 75 80.879 -4.904 7.975 636 HG SER 75 HG SER 75 78.223 -3.932 7.692 637 H VAL 76 HN VAL 76 79.990 -4.305 4.222 638 HA VAL 76 HA VAL 76 77.321 -3.058 3.936 639 HB VAL 76 HB VAL 76 77.952 -2.025 1.754 640 1HG1 VAL 76 HG11 VAL 76 78.977 -0.082 2.695 641 2HG1 VAL 76 HG12 VAL 76 79.778 -1.023 3.951 642 3HG1 VAL 76 HG13 VAL 76 78.031 -0.797 4.000 643 1HG2 VAL 76 HG21 VAL 76 80.370 -1.765 1.251 644 2HG2 VAL 76 HG22 VAL 76 79.900 -3.462 1.263 645 3HG2 VAL 76 HG23 VAL 76 80.760 -2.776 2.640 646 H GLN 77 HN GLN 77 76.308 -3.859 1.809 647 HA GLN 77 HA GLN 77 76.847 -6.710 1.575 648 1HB GLN 77 HB2 GLN 77 74.797 -4.785 0.582 649 2HB GLN 77 HB1 GLN 77 75.034 -6.229 -0.399 650 1HG GLN 77 HG2 GLN 77 74.630 -6.386 2.593 651 2HG GLN 77 HG1 GLN 77 73.275 -6.371 1.466 652 1HE2 GLN 77 HE21 GLN 77 74.826 -8.554 3.233 653 2HE2 GLN 77 HE22 GLN 77 74.895 -9.871 2.165 654 H THR 78 HN THR 78 78.017 -7.710 0.010 655 HA THR 78 HA THR 78 78.648 -6.329 -2.519 656 HB THR 78 HB THR 78 80.996 -6.404 -2.303 657 HG1 THR 78 HG1 THR 78 80.389 -8.194 -0.246 658 1HG2 THR 78 HG21 THR 78 80.020 -5.660 0.468 659 2HG2 THR 78 HG22 THR 78 79.942 -4.597 -0.936 660 3HG2 THR 78 HG23 THR 78 81.503 -5.109 -0.307 661 H THR 79 HN THR 79 78.161 -7.867 -3.968 662 HA THR 79 HA THR 79 78.043 -10.677 -3.335 663 HB THR 79 HB THR 79 78.168 -9.282 -6.025 664 HG1 THR 79 HG1 THR 79 76.397 -8.864 -4.426 665 1HG2 THR 79 HG21 THR 79 78.697 -11.602 -6.323 666 2HG2 THR 79 HG22 THR 79 77.004 -11.405 -6.776 667 3HG2 THR 79 HG23 THR 79 77.423 -12.098 -5.209 668 H GLU 80 HN GLU 80 80.528 -8.523 -4.349 669 HA GLU 80 HA GLU 80 82.390 -10.806 -4.874 670 1HB GLU 80 HB2 GLU 80 82.588 -7.933 -5.820 671 2HB GLU 80 HB1 GLU 80 83.708 -9.235 -6.215 672 1HG GLU 80 HG2 GLU 80 81.689 -10.486 -7.169 673 2HG GLU 80 HG1 GLU 80 80.819 -8.962 -7.048 674 H GLY 81 HN GLY 81 81.658 -9.649 -2.259 675 1HA GLY 81 HA2 GLY 81 83.488 -7.830 -1.191 676 2HA GLY 81 HA1 GLY 81 82.848 -9.193 -0.272 677 H GLU 82 HN GLU 82 84.127 -10.899 -2.550 678 HA GLU 82 HA GLU 82 86.611 -11.411 -1.109 679 1HB GLU 82 HB2 GLU 82 85.555 -13.345 -2.004 680 2HB GLU 82 HB1 GLU 82 85.299 -12.579 -3.566 681 1HG GLU 82 HG2 GLU 82 87.558 -12.760 -4.168 682 2HG GLU 82 HG1 GLU 82 88.075 -13.034 -2.512 683 H GLN 83 HN GLN 83 85.880 -10.519 -4.477 684 HA GLN 83 HA GLN 83 88.499 -9.907 -5.294 685 1HB GLN 83 HB2 GLN 83 86.043 -8.369 -6.137 686 2HB GLN 83 HB1 GLN 83 87.518 -8.590 -7.060 687 1HG GLN 83 HG2 GLN 83 87.074 -10.936 -7.337 688 2HG GLN 83 HG1 GLN 83 85.730 -10.863 -6.209 689 1HE2 GLN 83 HE21 GLN 83 84.234 -11.600 -7.864 690 2HE2 GLN 83 HE22 GLN 83 83.716 -10.556 -9.098 691 H ILE 84 HN ILE 84 86.072 -7.820 -3.800 692 HA ILE 84 HA ILE 84 87.577 -5.425 -3.719 693 HB ILE 84 HB ILE 84 85.713 -6.470 -1.560 694 1HG1 ILE 84 HG12 ILE 84 85.159 -4.958 -4.132 695 2HG1 ILE 84 HG11 ILE 84 84.611 -6.584 -3.729 696 1HG2 ILE 84 HG21 ILE 84 86.288 -3.612 -2.386 697 2HG2 ILE 84 HG22 ILE 84 87.132 -4.413 -1.062 698 3HG2 ILE 84 HG23 ILE 84 85.391 -4.161 -0.971 699 1HD1 ILE 84 HD11 ILE 84 83.748 -3.967 -2.492 700 2HD1 ILE 84 HD12 ILE 84 83.444 -5.517 -1.707 701 3HD1 ILE 84 HD13 ILE 84 82.744 -5.178 -3.290 702 H ALA 85 HN ALA 85 87.757 -8.356 -1.813 703 HA ALA 85 HA ALA 85 89.689 -7.214 0.095 704 1HB ALA 85 HB1 ALA 85 87.991 -9.060 0.629 705 2HB ALA 85 HB2 ALA 85 89.648 -9.347 1.155 706 3HB ALA 85 HB3 ALA 85 89.033 -10.141 -0.295 707 H GLN 86 HN GLN 86 89.665 -9.110 -2.862 708 HA GLN 86 HA GLN 86 92.484 -9.839 -2.675 709 1HB GLN 86 HB2 GLN 86 90.637 -11.066 -3.993 710 2HB GLN 86 HB1 GLN 86 90.836 -9.803 -5.195 711 1HG GLN 86 HG2 GLN 86 93.341 -10.359 -5.111 712 2HG GLN 86 HG1 GLN 86 92.862 -11.822 -4.264 713 1HE2 GLN 86 HE21 GLN 86 94.020 -12.487 -6.539 714 2HE2 GLN 86 HE22 GLN 86 92.916 -12.834 -7.776 715 H LEU 87 HN LEU 87 90.545 -7.366 -4.244 716 HA LEU 87 HA LEU 87 92.713 -6.188 -5.727 717 1HB LEU 87 HB2 LEU 87 90.404 -5.734 -6.372 718 2HB LEU 87 HB1 LEU 87 90.058 -5.066 -4.779 719 HG LEU 87 HG LEU 87 91.586 -3.214 -5.164 720 1HD1 LEU 87 HD11 LEU 87 92.283 -4.811 -7.632 721 2HD1 LEU 87 HD12 LEU 87 93.362 -4.061 -6.456 722 3HD1 LEU 87 HD13 LEU 87 92.504 -3.061 -7.626 723 1HD2 LEU 87 HD21 LEU 87 89.369 -2.806 -5.967 724 2HD2 LEU 87 HD22 LEU 87 89.634 -3.789 -7.407 725 3HD2 LEU 87 HD23 LEU 87 90.451 -2.235 -7.238 726 H ILE 88 HN ILE 88 91.237 -5.674 -2.585 727 HA ILE 88 HA ILE 88 92.937 -3.438 -1.857 728 HB ILE 88 HB ILE 88 91.092 -5.293 -0.337 729 1HG1 ILE 88 HG12 ILE 88 91.003 -2.295 -0.798 730 2HG1 ILE 88 HG11 ILE 88 90.184 -3.470 -1.825 731 1HG2 ILE 88 HG21 ILE 88 92.774 -4.793 1.292 732 2HG2 ILE 88 HG22 ILE 88 91.479 -3.640 1.601 733 3HG2 ILE 88 HG23 ILE 88 92.924 -3.129 0.733 734 1HD1 ILE 88 HD11 ILE 88 89.049 -4.333 0.292 735 2HD1 ILE 88 HD12 ILE 88 88.548 -2.732 -0.251 736 3HD1 ILE 88 HD13 ILE 88 89.672 -2.893 1.098 737 H ALA 89 HN ALA 89 92.799 -6.860 -0.851 738 HA ALA 89 HA ALA 89 95.173 -6.884 0.694 739 1HB ALA 89 HB1 ALA 89 95.206 -9.318 0.276 740 2HB ALA 89 HB2 ALA 89 94.021 -9.112 -1.013 741 3HB ALA 89 HB3 ALA 89 93.576 -8.763 0.658 742 H GLY 90 HN GLY 90 94.712 -6.550 -2.683 743 1HA GLY 90 HA2 GLY 90 97.393 -7.527 -3.407 744 2HA GLY 90 HA1 GLY 90 96.209 -6.833 -4.511 745 H TYR 91 HN TYR 91 95.747 -4.374 -3.028 746 HA TYR 91 HA TYR 91 97.996 -2.860 -4.029 747 1HB TYR 91 HB2 TYR 91 95.568 -2.160 -2.378 748 2HB TYR 91 HB1 TYR 91 96.832 -0.967 -2.650 749 HD1 TYR 91 HD1 TYR 91 93.748 -1.948 -3.812 750 HD2 TYR 91 HD2 TYR 91 97.674 -1.033 -5.315 751 HE1 TYR 91 HE1 TYR 91 92.780 -1.394 -6.021 752 HE2 TYR 91 HE2 TYR 91 96.699 -0.501 -7.524 753 HH TYR 91 HH TYR 91 94.657 -1.059 -8.820 754 H ILE 92 HN ILE 92 97.058 -4.092 -0.886 755 HA ILE 92 HA ILE 92 98.874 -2.572 0.692 756 HB ILE 92 HB ILE 92 97.806 -5.365 1.146 757 1HG1 ILE 92 HG12 ILE 92 96.812 -2.671 2.135 758 2HG1 ILE 92 HG11 ILE 92 96.102 -3.554 0.783 759 1HG2 ILE 92 HG21 ILE 92 98.216 -4.685 3.578 760 2HG2 ILE 92 HG22 ILE 92 99.176 -3.350 2.942 761 3HG2 ILE 92 HG23 ILE 92 99.659 -5.014 2.622 762 1HD1 ILE 92 HD11 ILE 92 95.875 -5.522 2.461 763 2HD1 ILE 92 HD12 ILE 92 94.755 -4.170 2.623 764 3HD1 ILE 92 HD13 ILE 92 96.140 -4.303 3.706 765 H ASP 93 HN ASP 93 99.340 -5.304 -1.393 766 HA ASP 93 HA ASP 93 101.973 -5.984 -0.272 767 1HB ASP 93 HB2 ASP 93 100.250 -7.580 -1.410 768 2HB ASP 93 HB1 ASP 93 100.921 -6.969 -2.916 769 H ILE 94 HN ILE 94 100.671 -3.972 -2.776 770 HA ILE 94 HA ILE 94 103.226 -3.737 -4.215 771 HB ILE 94 HB ILE 94 100.655 -2.169 -4.531 772 1HG1 ILE 94 HG12 ILE 94 101.692 -4.508 -6.160 773 2HG1 ILE 94 HG11 ILE 94 100.507 -4.680 -4.868 774 1HG2 ILE 94 HG21 ILE 94 102.453 -0.954 -5.540 775 2HG2 ILE 94 HG22 ILE 94 101.668 -1.826 -6.856 776 3HG2 ILE 94 HG23 ILE 94 103.180 -2.429 -6.177 777 1HD1 ILE 94 HD11 ILE 94 99.103 -2.942 -6.094 778 2HD1 ILE 94 HD12 ILE 94 99.255 -4.503 -6.899 779 3HD1 ILE 94 HD13 ILE 94 100.217 -3.130 -7.448 780 H ILE 95 HN ILE 95 101.495 -2.000 -1.721 781 HA ILE 95 HA ILE 95 103.152 0.416 -2.022 782 HB ILE 95 HB ILE 95 101.998 1.146 0.048 783 1HG1 ILE 95 HG12 ILE 95 100.797 -1.633 -0.119 784 2HG1 ILE 95 HG11 ILE 95 101.779 -0.981 1.193 785 1HG2 ILE 95 HG21 ILE 95 100.999 1.334 -2.293 786 2HG2 ILE 95 HG22 ILE 95 99.848 1.422 -0.958 787 3HG2 ILE 95 HG23 ILE 95 100.015 -0.069 -1.883 788 1HD1 ILE 95 HD11 ILE 95 99.953 0.851 1.387 789 2HD1 ILE 95 HD12 ILE 95 99.568 -0.757 1.996 790 3HD1 ILE 95 HD13 ILE 95 98.957 -0.241 0.425 791 H LEU 96 HN LEU 96 102.995 -2.455 -0.034 792 HA LEU 96 HA LEU 96 105.108 -1.585 1.785 793 1HB LEU 96 HB2 LEU 96 103.394 -3.991 1.374 794 2HB LEU 96 HB1 LEU 96 104.926 -4.268 2.203 795 HG LEU 96 HG LEU 96 103.142 -1.996 3.088 796 1HD1 LEU 96 HD11 LEU 96 102.232 -3.692 4.798 797 2HD1 LEU 96 HD12 LEU 96 102.802 -4.936 3.686 798 3HD1 LEU 96 HD13 LEU 96 101.579 -3.781 3.162 799 1HD2 LEU 96 HD21 LEU 96 105.010 -3.855 4.600 800 2HD2 LEU 96 HD22 LEU 96 104.245 -2.397 5.229 801 3HD2 LEU 96 HD23 LEU 96 105.477 -2.274 3.975 802 H LYS 97 HN LYS 97 104.896 -3.243 -1.252 803 HA LYS 97 HA LYS 97 107.478 -4.540 -1.133 804 1HB LYS 97 HB2 LYS 97 105.759 -5.321 -2.671 805 2HB LYS 97 HB1 LYS 97 105.747 -3.763 -3.487 806 1HG LYS 97 HG2 LYS 97 108.434 -5.039 -3.320 807 2HG LYS 97 HG1 LYS 97 107.266 -5.921 -4.292 808 1HD LYS 97 HD2 LYS 97 106.921 -4.078 -5.755 809 2HD LYS 97 HD1 LYS 97 107.734 -2.968 -4.658 810 1HE LYS 97 HE2 LYS 97 109.147 -5.325 -5.914 811 2HE LYS 97 HE1 LYS 97 109.104 -3.733 -6.670 812 1HZ LYS 97 HZ1 LYS 97 110.555 -4.634 -4.331 813 2HZ LYS 97 HZ2 LYS 97 109.833 -3.103 -4.185 814 3HZ LYS 97 HZ3 LYS 97 110.936 -3.410 -5.440 815 H LYS 98 HN LYS 98 106.331 -1.408 -2.331 816 HA LYS 98 HA LYS 98 108.961 -0.681 -3.379 817 1HB LYS 98 HB2 LYS 98 106.614 1.150 -2.810 818 2HB LYS 98 HB1 LYS 98 107.949 1.442 -3.918 819 1HG LYS 98 HG2 LYS 98 106.094 -0.918 -4.293 820 2HG LYS 98 HG1 LYS 98 105.698 0.673 -4.931 821 1HD LYS 98 HD2 LYS 98 107.805 0.711 -6.200 822 2HD LYS 98 HD1 LYS 98 108.234 -0.867 -5.547 823 1HE LYS 98 HE2 LYS 98 107.167 -0.837 -7.885 824 2HE LYS 98 HE1 LYS 98 106.478 -1.956 -6.709 825 1HZ LYS 98 HZ1 LYS 98 104.887 -0.496 -8.028 826 2HZ LYS 98 HZ2 LYS 98 105.415 0.780 -7.038 827 3HZ LYS 98 HZ3 LYS 98 104.659 -0.578 -6.350 828 H LYS 99 HN LYS 99 107.467 -0.688 -0.318 829 HA LYS 99 HA LYS 99 108.946 1.593 0.748 830 1HB LYS 99 HB2 LYS 99 107.181 -0.512 1.970 831 2HB LYS 99 HB1 LYS 99 108.042 0.662 2.959 832 1HG LYS 99 HG2 LYS 99 106.407 1.660 0.635 833 2HG LYS 99 HG1 LYS 99 105.574 1.167 2.104 834 1HD LYS 99 HD2 LYS 99 106.686 2.795 3.425 835 2HD LYS 99 HD1 LYS 99 107.905 3.087 2.187 836 1HE LYS 99 HE2 LYS 99 105.926 4.789 2.463 837 2HE LYS 99 HE1 LYS 99 106.439 4.318 0.843 838 1HZ LYS 99 HZ1 LYS 99 104.328 2.833 2.279 839 2HZ LYS 99 HZ2 LYS 99 104.652 2.873 0.611 840 3HZ LYS 99 HZ3 LYS 99 103.965 4.225 1.379 841 H LYS 100 HN LYS 100 109.596 -1.735 0.204 842 HA LYS 100 HA LYS 100 111.355 -2.265 2.392 843 1HB LYS 100 HB2 LYS 100 112.178 -4.111 1.097 844 2HB LYS 100 HB1 LYS 100 110.461 -3.959 0.726 845 1HG LYS 100 HG2 LYS 100 111.212 -2.480 -1.257 846 2HG LYS 100 HG1 LYS 100 112.822 -3.134 -0.967 847 1HD LYS 100 HD2 LYS 100 110.318 -4.730 -1.582 848 2HD LYS 100 HD1 LYS 100 111.705 -4.501 -2.648 849 1HE LYS 100 HE2 LYS 100 113.112 -5.547 -0.763 850 2HE LYS 100 HE1 LYS 100 111.576 -6.058 -0.063 851 1HZ LYS 100 HZ1 LYS 100 111.529 -7.740 -1.474 852 2HZ LYS 100 HZ2 LYS 100 113.010 -7.249 -2.146 853 3HZ LYS 100 HZ3 LYS 100 111.548 -6.672 -2.791 854 1H SER 1 HT1 SER 1 88.518 -16.314 13.152 855 2H SER 1 HT2 SER 1 88.216 -17.971 12.925 856 3H SER 1 HT3 SER 1 87.317 -16.815 12.064 857 HA SER 1 HA SER 1 90.133 -17.619 11.693 858 1HB SER 1 HB2 SER 1 88.142 -18.665 10.450 859 2HB SER 1 HB1 SER 1 87.962 -17.106 9.652 860 HG SER 1 HG SER 1 90.133 -18.916 9.582 861 H TRP 2 HN TRP 2 87.861 -15.252 10.248 862 HA TRP 2 HA TRP 2 88.268 -13.075 9.463 863 1HB TRP 2 HB2 TRP 2 89.740 -13.276 12.078 864 2HB TRP 2 HB1 TRP 2 89.998 -11.840 11.096 865 HD1 TRP 2 HD1 TRP 2 87.523 -13.468 13.384 866 HE1 TRP 2 HE1 TRP 2 85.465 -11.935 13.661 867 HE3 TRP 2 HE3 TRP 2 88.472 -10.063 9.711 868 HZ2 TRP 2 HZ2 TRP 2 84.374 -9.565 12.474 869 HZ3 TRP 2 HZ3 TRP 2 86.918 -8.176 9.305 870 HH2 TRP 2 HH2 TRP 2 84.877 -7.924 10.681 871 H VAL 3 HN VAL 3 90.309 -11.510 9.036 872 HA VAL 3 HA VAL 3 92.702 -12.998 8.195 873 HB VAL 3 HB VAL 3 91.430 -13.293 6.204 874 1HG1 VAL 3 HG11 VAL 3 90.662 -10.381 6.469 875 2HG1 VAL 3 HG12 VAL 3 89.602 -11.761 6.775 876 3HG1 VAL 3 HG13 VAL 3 90.190 -11.443 5.144 877 1HG2 VAL 3 HG21 VAL 3 93.756 -12.189 6.007 878 2HG2 VAL 3 HG22 VAL 3 92.881 -10.700 5.646 879 3HG2 VAL 3 HG23 VAL 3 92.703 -12.103 4.592 880 1HN PTR 4 HN PTR 4 94.505 -11.643 8.151 881 HA PTR 4 HA PTR 4 94.025 -8.795 8.982 882 1HB PTR 4 HB1 PTR 4 96.405 -9.059 9.927 883 2HB PTR 4 HB2 PTR 4 96.193 -10.787 9.660 884 HD1 PTR 4 HD1 PTR 4 93.764 -11.693 10.527 885 HD2 PTR 4 HD2 PTR 4 95.868 -8.263 12.055 886 HE1 PTR 4 HE1 PTR 4 92.524 -11.877 12.661 887 HE2 PTR 4 HE2 PTR 4 94.619 -8.452 14.186 888 H SER 5 HN SER 5 96.580 -7.827 8.612 889 HA SER 5 HA SER 5 97.244 -8.305 5.749 890 1HB SER 5 HB2 SER 5 96.835 -6.119 5.110 891 2HB SER 5 HB1 SER 5 95.696 -6.186 6.449 892 HG SER 5 HG SER 5 97.394 -5.372 7.784 893 HA PRO 6 HA PRO 6 101.387 -8.212 7.309 894 1HB PRO 6 HB2 PRO 6 102.603 -6.701 5.196 895 2HB PRO 6 HB1 PRO 6 102.525 -8.461 5.338 896 1HG PRO 6 HG2 PRO 6 100.993 -6.708 3.548 897 2HG PRO 6 HG1 PRO 6 101.128 -8.473 3.518 898 1HD PRO 6 HD2 PRO 6 98.857 -6.973 4.360 899 2HD PRO 6 HD1 PRO 6 99.109 -8.719 4.565 900 H LEU 7 HN LEU 7 99.877 -5.204 6.276 901 HA LEU 7 HA LEU 7 101.644 -3.255 7.146 902 1HB LEU 7 HB2 LEU 7 98.655 -3.303 7.655 903 2HB LEU 7 HB1 LEU 7 99.671 -1.865 7.671 904 HG LEU 7 HG LEU 7 99.656 -3.621 5.219 905 1HD1 LEU 7 HD11 LEU 7 97.310 -3.299 5.499 906 2HD1 LEU 7 HD12 LEU 7 97.818 -2.062 4.351 907 3HD1 LEU 7 HD13 LEU 7 97.528 -1.634 6.037 908 1HD2 LEU 7 HD21 LEU 7 100.216 -1.550 4.099 909 2HD2 LEU 7 HD22 LEU 7 101.246 -1.668 5.522 910 3HD2 LEU 7 HD23 LEU 7 99.838 -0.607 5.540 911 H HIS 8 HN HIS 8 102.885 -3.883 8.949 912 HA HIS 8 HA HIS 8 101.556 -4.662 11.450 913 1HB HIS 8 HB2 HIS 8 104.017 -4.471 12.284 914 2HB HIS 8 HB1 HIS 8 103.626 -5.752 11.137 915 HD1 HIS 8 HD1 HIS 8 105.568 -5.914 9.578 916 HD2 HIS 8 HD2 HIS 8 104.542 -1.948 10.346 917 HE1 HIS 8 HE1 HIS 8 107.053 -4.492 8.101 Start of MODEL 2 1 1H LEU 1 HT1 LEU 1 84.218 13.520 -8.894 2 2H LEU 1 HT2 LEU 1 83.673 12.422 -10.071 3 3H LEU 1 HT3 LEU 1 83.546 14.094 -10.341 4 HA LEU 1 HA LEU 1 85.776 12.335 -10.757 5 1HB LEU 1 HB2 LEU 1 84.903 15.091 -11.654 6 2HB LEU 1 HB1 LEU 1 86.455 14.419 -12.132 7 HG LEU 1 HG LEU 1 84.500 14.102 -13.770 8 1HD1 LEU 1 HD11 LEU 1 86.676 12.732 -13.680 9 2HD1 LEU 1 HD12 LEU 1 85.309 12.012 -14.523 10 3HD1 LEU 1 HD13 LEU 1 85.715 11.479 -12.895 11 1HD2 LEU 1 HD21 LEU 1 82.903 12.357 -13.316 12 2HD2 LEU 1 HD22 LEU 1 82.866 13.470 -11.950 13 3HD2 LEU 1 HD23 LEU 1 83.712 11.927 -11.810 14 H LYS 2 HN LYS 2 85.336 13.514 -8.020 15 HA LYS 2 HA LYS 2 87.291 15.529 -7.542 16 1HB LYS 2 HB2 LYS 2 85.906 13.478 -5.832 17 2HB LYS 2 HB1 LYS 2 87.180 14.485 -5.146 18 1HG LYS 2 HG2 LYS 2 84.890 15.438 -4.839 19 2HG LYS 2 HG1 LYS 2 85.971 16.503 -5.729 20 1HD LYS 2 HD2 LYS 2 84.968 15.927 -7.824 21 2HD LYS 2 HD1 LYS 2 84.076 14.589 -7.102 22 1HE LYS 2 HE2 LYS 2 82.507 16.382 -7.359 23 2HE LYS 2 HE1 LYS 2 82.906 16.323 -5.644 24 1HZ LYS 2 HZ1 LYS 2 83.108 18.504 -7.269 25 2HZ LYS 2 HZ2 LYS 2 84.714 17.970 -7.120 26 3HZ LYS 2 HZ3 LYS 2 83.805 18.337 -5.732 27 H THR 3 HN THR 3 87.603 12.239 -8.365 28 HA THR 3 HA THR 3 90.493 12.382 -8.244 29 HB THR 3 HB THR 3 89.264 10.321 -6.404 30 HG1 THR 3 HG1 THR 3 90.173 12.941 -5.868 31 1HG2 THR 3 HG21 THR 3 92.054 11.478 -6.446 32 2HG2 THR 3 HG22 THR 3 91.598 10.076 -7.414 33 3HG2 THR 3 HG23 THR 3 91.502 10.001 -5.655 34 H TYR 4 HN TYR 4 89.188 11.912 -10.451 35 HA TYR 4 HA TYR 4 88.229 9.339 -11.049 36 1HB TYR 4 HB2 TYR 4 88.788 9.833 -13.367 37 2HB TYR 4 HB1 TYR 4 88.138 11.274 -12.596 38 HD1 TYR 4 HD1 TYR 4 91.126 9.665 -13.947 39 HD2 TYR 4 HD2 TYR 4 89.580 13.153 -12.005 40 HE1 TYR 4 HE1 TYR 4 93.210 10.891 -14.511 41 HE2 TYR 4 HE2 TYR 4 91.660 14.393 -12.561 42 HH TYR 4 HH TYR 4 94.271 12.839 -14.436 43 H GLY 5 HN GLY 5 89.462 7.712 -12.486 44 1HA GLY 5 HA2 GLY 5 91.398 6.404 -12.933 45 2HA GLY 5 HA1 GLY 5 92.354 7.533 -11.972 46 H VAL 6 HN VAL 6 89.616 6.776 -10.257 47 HA VAL 6 HA VAL 6 91.088 4.742 -8.624 48 HB VAL 6 HB VAL 6 88.737 6.510 -7.873 49 1HG1 VAL 6 HG11 VAL 6 89.322 5.774 -5.569 50 2HG1 VAL 6 HG12 VAL 6 90.524 4.675 -6.247 51 3HG1 VAL 6 HG13 VAL 6 88.810 4.430 -6.589 52 1HG2 VAL 6 HG21 VAL 6 90.291 7.924 -6.760 53 2HG2 VAL 6 HG22 VAL 6 91.031 7.617 -8.328 54 3HG2 VAL 6 HG23 VAL 6 91.594 6.745 -6.903 55 H SER 7 HN SER 7 90.130 2.743 -8.249 56 HA SER 7 HA SER 7 87.951 1.995 -10.045 57 1HB SER 7 HB2 SER 7 89.115 0.249 -7.888 58 2HB SER 7 HB1 SER 7 88.423 -0.227 -9.433 59 HG SER 7 HG SER 7 90.610 1.508 -9.444 60 H PHE 8 HN PHE 8 85.917 2.454 -9.495 61 HA PHE 8 HA PHE 8 85.088 2.583 -6.640 62 1HB PHE 8 HB2 PHE 8 82.853 3.272 -7.885 63 2HB PHE 8 HB1 PHE 8 84.186 4.418 -7.767 64 HD1 PHE 8 HD1 PHE 8 85.505 5.027 -9.704 65 HD2 PHE 8 HD2 PHE 8 82.412 2.060 -9.989 66 HE1 PHE 8 HE1 PHE 8 85.628 5.137 -12.178 67 HE2 PHE 8 HE2 PHE 8 82.536 2.169 -12.463 68 HZ PHE 8 HZ PHE 8 84.143 3.708 -13.558 69 H PHE 9 HN PHE 9 83.529 1.181 -5.781 70 HA PHE 9 HA PHE 9 82.624 -1.106 -7.509 71 1HB PHE 9 HB2 PHE 9 83.816 -1.121 -4.729 72 2HB PHE 9 HB1 PHE 9 82.767 -2.429 -5.273 73 HD1 PHE 9 HD1 PHE 9 85.883 -0.555 -6.131 74 HD2 PHE 9 HD2 PHE 9 83.598 -4.154 -6.669 75 HE1 PHE 9 HE1 PHE 9 87.798 -1.597 -7.314 76 HE2 PHE 9 HE2 PHE 9 85.515 -5.195 -7.850 77 HZ PHE 9 HZ PHE 9 87.614 -3.915 -8.173 78 H LEU 10 HN LEU 10 80.425 -1.365 -7.449 79 HA LEU 10 HA LEU 10 78.840 0.397 -5.742 80 1HB LEU 10 HB2 LEU 10 77.998 -0.039 -7.953 81 2HB LEU 10 HB1 LEU 10 78.079 -1.778 -7.708 82 HG LEU 10 HG LEU 10 76.423 -0.380 -5.656 83 1HD1 LEU 10 HD11 LEU 10 75.925 0.988 -7.692 84 2HD1 LEU 10 HD12 LEU 10 74.533 0.085 -7.097 85 3HD1 LEU 10 HD13 LEU 10 75.418 -0.487 -8.513 86 1HD2 LEU 10 HD21 LEU 10 76.426 -2.812 -5.829 87 2HD2 LEU 10 HD22 LEU 10 75.967 -2.732 -7.529 88 3HD2 LEU 10 HD23 LEU 10 74.832 -2.215 -6.283 89 H VAL 11 HN VAL 11 78.343 -0.042 -3.732 90 HA VAL 11 HA VAL 11 77.844 -2.873 -2.903 91 HB VAL 11 HB VAL 11 78.983 -2.468 -0.798 92 1HG1 VAL 11 HG11 VAL 11 81.224 -2.483 -1.570 93 2HG1 VAL 11 HG12 VAL 11 80.863 -1.390 -2.907 94 3HG1 VAL 11 HG13 VAL 11 80.297 -3.059 -2.955 95 1HG2 VAL 11 HG21 VAL 11 78.545 -0.164 -0.370 96 2HG2 VAL 11 HG22 VAL 11 79.281 0.335 -1.892 97 3HG2 VAL 11 HG23 VAL 11 80.293 -0.265 -0.582 98 H LYS 12 HN LYS 12 76.257 -3.003 -1.180 99 HA LYS 12 HA LYS 12 74.527 -0.557 -1.050 100 1HB LYS 12 HB2 LYS 12 73.989 -3.416 -1.414 101 2HB LYS 12 HB1 LYS 12 73.032 -2.742 -0.100 102 1HG LYS 12 HG2 LYS 12 72.135 -1.023 -1.564 103 2HG LYS 12 HG1 LYS 12 73.208 -1.531 -2.879 104 1HD LYS 12 HD2 LYS 12 72.105 -3.777 -2.831 105 2HD LYS 12 HD1 LYS 12 70.986 -3.161 -1.623 106 1HE LYS 12 HE2 LYS 12 70.017 -1.630 -3.132 107 2HE LYS 12 HE1 LYS 12 71.346 -1.785 -4.275 108 1HZ LYS 12 HZ1 LYS 12 70.677 -3.982 -4.810 109 2HZ LYS 12 HZ2 LYS 12 69.290 -3.005 -4.903 110 3HZ LYS 12 HZ3 LYS 12 69.531 -4.016 -3.560 111 H GLU 13 HN GLU 13 74.122 0.366 0.849 112 HA GLU 13 HA GLU 13 75.412 -0.822 3.274 113 1HB GLU 13 HB2 GLU 13 74.477 2.024 2.825 114 2HB GLU 13 HB1 GLU 13 75.467 1.430 4.158 115 1HG GLU 13 HG2 GLU 13 77.207 0.750 2.491 116 2HG GLU 13 HG1 GLU 13 76.243 1.517 1.232 117 H LYS 14 HN LYS 14 74.228 -0.530 5.311 118 HA LYS 14 HA LYS 14 71.303 -0.911 4.914 119 1HB LYS 14 HB2 LYS 14 72.653 -1.334 7.567 120 2HB LYS 14 HB1 LYS 14 71.308 -2.210 6.848 121 1HG LYS 14 HG2 LYS 14 74.206 -2.390 5.951 122 2HG LYS 14 HG1 LYS 14 73.373 -3.580 6.934 123 1HD LYS 14 HD2 LYS 14 72.358 -2.796 4.183 124 2HD LYS 14 HD1 LYS 14 73.544 -4.072 4.417 125 1HE LYS 14 HE2 LYS 14 70.725 -3.992 5.530 126 2HE LYS 14 HE1 LYS 14 71.376 -5.114 4.343 127 1HZ LYS 14 HZ1 LYS 14 71.935 -4.964 7.230 128 2HZ LYS 14 HZ2 LYS 14 73.048 -5.692 6.173 129 3HZ LYS 14 HZ3 LYS 14 71.468 -6.304 6.300 130 H MET 15 HN MET 15 70.020 0.730 5.343 131 HA MET 15 HA MET 15 70.940 3.211 6.428 132 1HB MET 15 HB2 MET 15 68.120 2.210 6.046 133 2HB MET 15 HB1 MET 15 68.588 3.887 6.298 134 1HG MET 15 HG2 MET 15 70.080 3.610 4.237 135 2HG MET 15 HG1 MET 15 69.184 2.124 3.925 136 1HE MET 15 HE1 MET 15 69.054 6.034 3.130 137 2HE MET 15 HE2 MET 15 69.123 5.664 4.851 138 3HE MET 15 HE3 MET 15 67.673 6.398 4.172 139 H LYS 16 HN LYS 16 70.295 4.217 8.355 140 HA LYS 16 HA LYS 16 70.758 3.238 10.767 141 1HB LYS 16 HB2 LYS 16 68.186 4.747 10.765 142 2HB LYS 16 HB1 LYS 16 69.664 5.048 11.671 143 1HG LYS 16 HG2 LYS 16 69.674 6.823 10.156 144 2HG LYS 16 HG1 LYS 16 70.670 5.640 9.317 145 1HD LYS 16 HD2 LYS 16 69.213 6.095 7.573 146 2HD LYS 16 HD1 LYS 16 68.223 4.878 8.381 147 1HE LYS 16 HE2 LYS 16 67.005 6.630 9.585 148 2HE LYS 16 HE1 LYS 16 68.028 7.871 8.862 149 1HZ LYS 16 HZ1 LYS 16 66.281 5.999 7.356 150 2HZ LYS 16 HZ2 LYS 16 67.233 7.237 6.687 151 3HZ LYS 16 HZ3 LYS 16 65.915 7.621 7.688 152 H GLY 17 HN GLY 17 67.263 3.325 10.100 153 1HA GLY 17 HA2 GLY 17 67.027 0.652 11.450 154 2HA GLY 17 HA1 GLY 17 65.842 1.941 11.624 155 H LYS 18 HN LYS 18 66.402 2.423 8.552 156 HA LYS 18 HA LYS 18 64.074 0.958 7.705 157 1HB LYS 18 HB2 LYS 18 65.942 1.690 5.504 158 2HB LYS 18 HB1 LYS 18 64.242 2.083 5.718 159 1HG LYS 18 HG2 LYS 18 66.500 3.415 7.203 160 2HG LYS 18 HG1 LYS 18 65.700 4.085 5.799 161 1HD LYS 18 HD2 LYS 18 64.040 3.268 8.183 162 2HD LYS 18 HD1 LYS 18 64.909 4.792 8.217 163 1HE LYS 18 HE2 LYS 18 63.813 5.436 6.071 164 2HE LYS 18 HE1 LYS 18 62.884 3.938 6.130 165 1HZ LYS 18 HZ1 LYS 18 62.757 6.253 7.957 166 2HZ LYS 18 HZ2 LYS 18 62.182 4.725 8.428 167 3HZ LYS 18 HZ3 LYS 18 61.498 5.519 7.090 168 H ASN 19 HN ASN 19 63.899 -1.145 7.169 169 HA ASN 19 HA ASN 19 66.170 -2.911 7.199 170 1HB ASN 19 HB2 ASN 19 63.319 -3.192 6.262 171 2HB ASN 19 HB1 ASN 19 64.478 -4.503 6.074 172 1HD2 ASN 19 HD21 ASN 19 62.069 -3.581 8.099 173 2HD2 ASN 19 HD22 ASN 19 62.662 -4.177 9.574 174 H LYS 20 HN LYS 20 65.243 -0.592 5.110 175 HA LYS 20 HA LYS 20 65.619 -1.791 2.542 176 1HB LYS 20 HB2 LYS 20 64.797 0.665 3.485 177 2HB LYS 20 HB1 LYS 20 66.363 1.063 2.803 178 1HG LYS 20 HG2 LYS 20 64.935 1.325 0.966 179 2HG LYS 20 HG1 LYS 20 65.550 -0.304 0.740 180 1HD LYS 20 HD2 LYS 20 63.262 -0.671 0.461 181 2HD LYS 20 HD1 LYS 20 63.440 -0.996 2.184 182 1HE LYS 20 HE2 LYS 20 62.672 1.250 2.735 183 2HE LYS 20 HE1 LYS 20 62.638 1.696 1.029 184 1HZ LYS 20 HZ1 LYS 20 60.782 0.064 2.559 185 2HZ LYS 20 HZ2 LYS 20 61.115 -0.467 0.980 186 3HZ LYS 20 HZ3 LYS 20 60.494 1.093 1.241 187 H LEU 21 HN LEU 21 67.471 -0.493 1.197 188 HA LEU 21 HA LEU 21 70.088 -0.800 2.601 189 1HB LEU 21 HB2 LEU 21 69.671 -1.812 -0.226 190 2HB LEU 21 HB1 LEU 21 71.038 -2.092 0.842 191 HG LEU 21 HG LEU 21 68.267 -3.094 1.526 192 1HD1 LEU 21 HD11 LEU 21 68.863 -5.237 0.562 193 2HD1 LEU 21 HD12 LEU 21 70.456 -4.634 0.110 194 3HD1 LEU 21 HD13 LEU 21 69.015 -4.004 -0.689 195 1HD2 LEU 21 HD21 LEU 21 69.916 -3.003 3.353 196 2HD2 LEU 21 HD22 LEU 21 71.068 -3.900 2.367 197 3HD2 LEU 21 HD23 LEU 21 69.580 -4.675 2.912 198 H VAL 22 HN VAL 22 71.823 0.407 1.456 199 HA VAL 22 HA VAL 22 70.721 2.550 -0.346 200 HB VAL 22 HB VAL 22 72.246 2.737 2.204 201 1HG1 VAL 22 HG11 VAL 22 73.994 3.668 0.887 202 2HG1 VAL 22 HG12 VAL 22 73.074 5.066 1.431 203 3HG1 VAL 22 HG13 VAL 22 72.862 4.457 -0.211 204 1HG2 VAL 22 HG21 VAL 22 69.873 3.451 1.924 205 2HG2 VAL 22 HG22 VAL 22 70.399 4.656 0.752 206 3HG2 VAL 22 HG23 VAL 22 70.919 4.779 2.431 207 HA PRO 23 HA PRO 23 74.075 0.765 -2.883 208 1HB PRO 23 HB2 PRO 23 73.492 3.038 -4.681 209 2HB PRO 23 HB1 PRO 23 73.458 1.323 -5.042 210 1HG PRO 23 HG2 PRO 23 71.196 2.909 -4.776 211 2HG PRO 23 HG1 PRO 23 71.207 1.155 -4.530 212 1HD PRO 23 HD2 PRO 23 71.006 3.312 -2.506 213 2HD PRO 23 HD1 PRO 23 70.553 1.595 -2.375 214 H ARG 24 HN ARG 24 76.241 1.442 -3.167 215 HA ARG 24 HA ARG 24 76.991 4.258 -2.678 216 1HB ARG 24 HB2 ARG 24 76.752 3.110 -0.402 217 2HB ARG 24 HB1 ARG 24 78.083 2.074 -0.886 218 1HG ARG 24 HG2 ARG 24 79.379 3.693 0.091 219 2HG ARG 24 HG1 ARG 24 79.185 4.501 -1.460 220 1HD ARG 24 HD2 ARG 24 77.893 5.105 1.175 221 2HD ARG 24 HD1 ARG 24 78.520 6.205 -0.041 222 HE ARG 24 HE ARG 24 76.311 5.036 -1.255 223 1HH1 ARG 24 HH21 ARG 24 76.989 6.701 1.684 224 2HH1 ARG 24 HH22 ARG 24 75.405 7.390 1.814 225 1HH2 ARG 24 HH11 ARG 24 74.238 5.925 -1.103 226 2HH2 ARG 24 HH12 ARG 24 73.848 6.950 0.237 227 H LEU 25 HN LEU 25 79.105 4.688 -3.494 228 HA LEU 25 HA LEU 25 80.339 2.421 -5.025 229 1HB LEU 25 HB2 LEU 25 80.568 5.419 -5.352 230 2HB LEU 25 HB1 LEU 25 81.465 4.257 -6.310 231 HG LEU 25 HG LEU 25 78.446 4.191 -6.145 232 1HD1 LEU 25 HD11 LEU 25 80.081 5.619 -8.264 233 2HD1 LEU 25 HD12 LEU 25 79.256 6.451 -6.948 234 3HD1 LEU 25 HD13 LEU 25 78.324 5.554 -8.146 235 1HD2 LEU 25 HD21 LEU 25 78.802 3.164 -8.457 236 2HD2 LEU 25 HD22 LEU 25 79.362 2.193 -7.103 237 3HD2 LEU 25 HD23 LEU 25 80.520 3.100 -8.070 238 H LEU 26 HN LEU 26 82.489 1.886 -4.562 239 HA LEU 26 HA LEU 26 83.797 3.402 -2.326 240 1HB LEU 26 HB2 LEU 26 82.865 1.120 -1.742 241 2HB LEU 26 HB1 LEU 26 84.021 0.436 -2.877 242 HG LEU 26 HG LEU 26 85.852 1.617 -1.573 243 1HD1 LEU 26 HD11 LEU 26 83.476 2.246 0.172 244 2HD1 LEU 26 HD12 LEU 26 84.833 3.276 -0.275 245 3HD1 LEU 26 HD13 LEU 26 85.057 1.999 0.912 246 1HD2 LEU 26 HD21 LEU 26 84.193 -0.394 -0.023 247 2HD2 LEU 26 HD22 LEU 26 85.927 -0.117 0.140 248 3HD2 LEU 26 HD23 LEU 26 85.280 -0.810 -1.347 249 H GLY 27 HN GLY 27 85.388 4.511 -3.280 250 1HA GLY 27 HA2 GLY 27 86.878 3.552 -5.576 251 2HA GLY 27 HA1 GLY 27 87.162 5.052 -4.719 252 H ILE 28 HN ILE 28 88.619 2.249 -5.473 253 HA ILE 28 HA ILE 28 90.051 1.960 -2.859 254 HB ILE 28 HB ILE 28 90.360 0.198 -5.306 255 1HG1 ILE 28 HG12 ILE 28 88.002 0.121 -4.772 256 2HG1 ILE 28 HG11 ILE 28 88.742 -1.343 -4.128 257 1HG2 ILE 28 HG21 ILE 28 92.088 0.006 -3.584 258 2HG2 ILE 28 HG22 ILE 28 91.080 -1.440 -3.587 259 3HG2 ILE 28 HG23 ILE 28 90.853 -0.210 -2.344 260 1HD1 ILE 28 HD11 ILE 28 88.985 -0.045 -1.920 261 2HD1 ILE 28 HD12 ILE 28 87.360 -0.548 -2.379 262 3HD1 ILE 28 HD13 ILE 28 87.868 1.119 -2.627 263 H THR 29 HN THR 29 91.789 3.333 -2.774 264 HA THR 29 HA THR 29 93.228 4.001 -5.290 265 HB THR 29 HB THR 29 93.939 5.128 -2.583 266 HG1 THR 29 HG1 THR 29 91.625 5.191 -2.890 267 1HG2 THR 29 HG21 THR 29 93.859 6.244 -5.402 268 2HG2 THR 29 HG22 THR 29 95.304 5.763 -4.512 269 3HG2 THR 29 HG23 THR 29 94.358 7.149 -3.973 270 H LYS 30 HN LYS 30 95.716 4.088 -4.998 271 HA LYS 30 HA LYS 30 96.581 1.432 -4.169 272 1HB LYS 30 HB2 LYS 30 98.897 2.544 -4.797 273 2HB LYS 30 HB1 LYS 30 97.734 2.164 -6.068 274 1HG LYS 30 HG2 LYS 30 96.998 4.400 -6.237 275 2HG LYS 30 HG1 LYS 30 97.715 4.851 -4.689 276 1HD LYS 30 HD2 LYS 30 99.926 4.759 -5.572 277 2HD LYS 30 HD1 LYS 30 99.390 3.919 -7.028 278 1HE LYS 30 HE2 LYS 30 98.398 5.850 -7.930 279 2HE LYS 30 HE1 LYS 30 98.312 6.655 -6.363 280 1HZ LYS 30 HZ1 LYS 30 100.798 6.046 -7.875 281 2HZ LYS 30 HZ2 LYS 30 100.729 6.797 -6.352 282 3HZ LYS 30 HZ3 LYS 30 100.081 7.575 -7.715 283 H GLU 31 HN GLU 31 95.981 4.197 -2.479 284 HA GLU 31 HA GLU 31 97.760 3.334 -0.265 285 1HB GLU 31 HB2 GLU 31 97.625 6.160 -1.339 286 2HB GLU 31 HB1 GLU 31 98.505 5.659 0.103 287 1HG GLU 31 HG2 GLU 31 99.714 3.996 -1.431 288 2HG GLU 31 HG1 GLU 31 99.043 4.923 -2.764 289 H CYS 32 HN CYS 32 94.701 3.976 -1.207 290 HA CYS 32 HA CYS 32 93.755 4.259 1.500 291 1HB CYS 32 HB2 CYS 32 92.622 6.613 0.798 292 2HB CYS 32 HB1 CYS 32 94.187 6.534 1.589 293 HG CYS 32 HG CYS 32 94.053 7.928 -0.821 294 H VAL 33 HN VAL 33 91.389 4.404 1.608 295 HA VAL 33 HA VAL 33 90.065 3.396 -0.893 296 HB VAL 33 HB VAL 33 89.262 3.106 2.024 297 1HG1 VAL 33 HG11 VAL 33 87.586 1.479 1.008 298 2HG1 VAL 33 HG12 VAL 33 87.983 2.190 -0.556 299 3HG1 VAL 33 HG13 VAL 33 87.267 3.188 0.708 300 1HG2 VAL 33 HG21 VAL 33 91.163 1.693 1.482 301 2HG2 VAL 33 HG22 VAL 33 90.380 1.146 -0.001 302 3HG2 VAL 33 HG23 VAL 33 89.722 0.682 1.569 303 H MET 34 HN MET 34 88.410 4.685 -1.743 304 HA MET 34 HA MET 34 87.847 7.219 -0.264 305 1HB MET 34 HB2 MET 34 86.986 6.733 -3.091 306 2HB MET 34 HB1 MET 34 87.443 8.242 -2.305 307 1HG MET 34 HG2 MET 34 89.796 7.215 -2.089 308 2HG MET 34 HG1 MET 34 89.241 6.012 -3.252 309 1HE MET 34 HE1 MET 34 89.223 9.754 -2.442 310 2HE MET 34 HE2 MET 34 90.008 10.472 -3.845 311 3HE MET 34 HE3 MET 34 90.912 9.374 -2.805 312 H ARG 35 HN ARG 35 85.827 7.738 0.451 313 HA ARG 35 HA ARG 35 83.705 5.655 0.087 314 1HB ARG 35 HB2 ARG 35 83.922 8.106 1.866 315 2HB ARG 35 HB1 ARG 35 82.452 7.152 1.727 316 1HG ARG 35 HG2 ARG 35 84.167 5.141 2.285 317 2HG ARG 35 HG1 ARG 35 85.060 6.458 3.042 318 1HD ARG 35 HD2 ARG 35 82.408 5.284 3.790 319 2HD ARG 35 HD1 ARG 35 83.716 5.846 4.830 320 HE ARG 35 HE ARG 35 82.765 8.166 3.639 321 1HH1 ARG 35 HH21 ARG 35 81.422 5.509 5.381 322 2HH1 ARG 35 HH22 ARG 35 80.151 6.446 6.093 323 1HH2 ARG 35 HH11 ARG 35 81.114 9.405 4.563 324 2HH2 ARG 35 HH12 ARG 35 79.977 8.651 5.630 325 H VAL 36 HN VAL 36 82.279 5.988 -1.565 326 HA VAL 36 HA VAL 36 81.705 8.808 -2.375 327 HB VAL 36 HB VAL 36 82.160 6.548 -4.314 328 1HG1 VAL 36 HG11 VAL 36 82.328 9.514 -4.832 329 2HG1 VAL 36 HG12 VAL 36 80.783 8.665 -4.897 330 3HG1 VAL 36 HG13 VAL 36 82.087 8.209 -5.992 331 1HG2 VAL 36 HG21 VAL 36 84.287 6.818 -3.332 332 2HG2 VAL 36 HG22 VAL 36 84.085 8.559 -3.164 333 3HG2 VAL 36 HG23 VAL 36 84.346 7.853 -4.758 334 H ASP 37 HN ASP 37 79.579 9.177 -2.415 335 HA ASP 37 HA ASP 37 77.634 7.094 -2.003 336 1HB ASP 37 HB2 ASP 37 77.441 10.018 -2.756 337 2HB ASP 37 HB1 ASP 37 76.007 9.004 -2.620 338 H GLU 38 HN GLU 38 76.108 6.270 -3.480 339 HA GLU 38 HA GLU 38 77.045 6.189 -6.281 340 1HB GLU 38 HB2 GLU 38 76.287 4.174 -4.877 341 2HB GLU 38 HB1 GLU 38 74.666 4.808 -5.070 342 1HG GLU 38 HG2 GLU 38 76.482 4.221 -7.408 343 2HG GLU 38 HG1 GLU 38 75.346 3.044 -6.745 344 H LYS 39 HN LYS 39 74.654 7.542 -4.282 345 HA LYS 39 HA LYS 39 72.692 8.207 -6.267 346 1HB LYS 39 HB2 LYS 39 72.228 8.082 -3.848 347 2HB LYS 39 HB1 LYS 39 73.293 9.455 -3.588 348 1HG LYS 39 HG2 LYS 39 71.858 10.880 -4.971 349 2HG LYS 39 HG1 LYS 39 70.805 9.508 -5.320 350 1HD LYS 39 HD2 LYS 39 70.422 9.292 -2.828 351 2HD LYS 39 HD1 LYS 39 71.279 10.821 -2.634 352 1HE LYS 39 HE2 LYS 39 69.645 11.982 -3.993 353 2HE LYS 39 HE1 LYS 39 68.849 10.465 -4.410 354 1HZ LYS 39 HZ1 LYS 39 68.303 12.100 -2.254 355 2HZ LYS 39 HZ2 LYS 39 69.068 10.731 -1.601 356 3HZ LYS 39 HZ3 LYS 39 67.672 10.555 -2.553 357 H THR 40 HN THR 40 75.177 10.115 -4.594 358 HA THR 40 HA THR 40 74.892 12.260 -6.641 359 HB THR 40 HB THR 40 76.319 13.570 -5.066 360 HG1 THR 40 HG1 THR 40 75.980 11.319 -3.381 361 1HG2 THR 40 HG21 THR 40 73.775 13.428 -4.952 362 2HG2 THR 40 HG22 THR 40 74.587 13.955 -3.477 363 3HG2 THR 40 HG23 THR 40 73.997 12.298 -3.616 364 H LYS 41 HN LYS 41 76.823 9.518 -6.106 365 HA LYS 41 HA LYS 41 78.946 8.916 -6.956 366 1HB LYS 41 HB2 LYS 41 78.393 11.110 -8.967 367 2HB LYS 41 HB1 LYS 41 79.388 9.672 -9.195 368 1HG LYS 41 HG2 LYS 41 77.286 8.303 -8.734 369 2HG LYS 41 HG1 LYS 41 76.384 9.811 -8.882 370 1HD LYS 41 HD2 LYS 41 78.136 8.529 -10.995 371 2HD LYS 41 HD1 LYS 41 76.383 8.707 -11.042 372 1HE LYS 41 HE2 LYS 41 76.879 11.263 -10.797 373 2HE LYS 41 HE1 LYS 41 78.503 10.826 -11.330 374 1HZ LYS 41 HZ1 LYS 41 76.014 10.116 -12.782 375 2HZ LYS 41 HZ2 LYS 41 77.609 9.863 -13.310 376 3HZ LYS 41 HZ3 LYS 41 77.000 11.442 -13.164 377 H GLU 42 HN GLU 42 78.637 11.243 -5.019 378 HA GLU 42 HA GLU 42 81.076 12.828 -5.697 379 1HB GLU 42 HB2 GLU 42 78.579 13.443 -4.438 380 2HB GLU 42 HB1 GLU 42 79.828 13.668 -3.224 381 1HG GLU 42 HG2 GLU 42 79.584 15.760 -4.363 382 2HG GLU 42 HG1 GLU 42 81.082 15.043 -4.944 383 H VAL 43 HN VAL 43 82.638 13.174 -3.879 384 HA VAL 43 HA VAL 43 83.188 10.609 -2.521 385 HB VAL 43 HB VAL 43 84.748 13.203 -2.718 386 1HG1 VAL 43 HG11 VAL 43 85.345 10.621 -1.254 387 2HG1 VAL 43 HG12 VAL 43 85.346 12.259 -0.602 388 3HG1 VAL 43 HG13 VAL 43 86.609 11.756 -1.724 389 1HG2 VAL 43 HG21 VAL 43 84.584 11.756 -4.758 390 2HG2 VAL 43 HG22 VAL 43 85.299 10.438 -3.832 391 3HG2 VAL 43 HG23 VAL 43 86.229 11.902 -4.141 392 H ILE 44 HN ILE 44 82.680 10.220 -0.430 393 HA ILE 44 HA ILE 44 81.687 12.486 1.229 394 HB ILE 44 HB ILE 44 81.400 9.533 1.781 395 1HG1 ILE 44 HG12 ILE 44 80.370 9.914 -0.373 396 2HG1 ILE 44 HG11 ILE 44 79.079 9.841 0.825 397 1HG2 ILE 44 HG21 ILE 44 81.009 10.988 3.693 398 2HG2 ILE 44 HG22 ILE 44 79.461 10.365 3.123 399 3HG2 ILE 44 HG23 ILE 44 79.945 12.015 2.733 400 1HD1 ILE 44 HD11 ILE 44 78.536 11.735 -0.481 401 2HD1 ILE 44 HD12 ILE 44 80.214 12.263 -0.570 402 3HD1 ILE 44 HD13 ILE 44 79.320 12.421 0.941 403 H GLN 45 HN GLN 45 84.119 9.917 1.155 404 HA GLN 45 HA GLN 45 85.710 11.319 3.121 405 1HB GLN 45 HB2 GLN 45 83.997 10.346 4.628 406 2HB GLN 45 HB1 GLN 45 84.416 8.740 4.039 407 1HG GLN 45 HG2 GLN 45 86.556 8.788 5.012 408 2HG GLN 45 HG1 GLN 45 86.540 10.545 5.185 409 1HE2 GLN 45 HE21 GLN 45 87.145 9.727 7.527 410 2HE2 GLN 45 HE22 GLN 45 85.838 9.494 8.581 411 H GLU 46 HN GLU 46 87.654 10.030 3.713 412 HA GLU 46 HA GLU 46 88.342 7.888 1.784 413 1HB GLU 46 HB2 GLU 46 89.770 10.491 2.274 414 2HB GLU 46 HB1 GLU 46 90.686 9.073 1.763 415 1HG GLU 46 HG2 GLU 46 89.485 8.896 -0.276 416 2HG GLU 46 HG1 GLU 46 88.223 9.998 0.275 417 H TRP 47 HN TRP 47 90.207 6.594 2.485 418 HA TRP 47 HA TRP 47 90.829 6.779 5.395 419 1HB TRP 47 HB2 TRP 47 89.769 4.364 3.919 420 2HB TRP 47 HB1 TRP 47 90.561 4.257 5.484 421 HD1 TRP 47 HD1 TRP 47 87.380 5.485 3.797 422 HE1 TRP 47 HE1 TRP 47 85.629 6.037 5.606 423 HE3 TRP 47 HE3 TRP 47 90.254 5.010 7.994 424 HZ2 TRP 47 HZ2 TRP 47 85.462 6.249 8.438 425 HZ3 TRP 47 HZ3 TRP 47 89.269 5.396 10.237 426 HH2 TRP 47 HH2 TRP 47 86.878 6.014 10.466 427 H SER 48 HN SER 48 92.848 5.732 5.936 428 HA SER 48 HA SER 48 94.724 5.657 3.662 429 1HB SER 48 HB2 SER 48 96.401 5.928 5.230 430 2HB SER 48 HB1 SER 48 95.055 6.568 6.166 431 HG SER 48 HG SER 48 94.864 4.103 6.648 432 H LEU 49 HN LEU 49 95.758 3.780 2.925 433 HA LEU 49 HA LEU 49 94.378 1.292 3.356 434 1HB LEU 49 HB2 LEU 49 96.597 2.293 1.693 435 2HB LEU 49 HB1 LEU 49 96.865 0.634 2.214 436 HG LEU 49 HG LEU 49 94.214 1.483 1.043 437 1HD1 LEU 49 HD11 LEU 49 96.774 0.781 -0.393 438 2HD1 LEU 49 HD12 LEU 49 95.640 2.088 -0.732 439 3HD1 LEU 49 HD13 LEU 49 95.206 0.426 -1.119 440 1HD2 LEU 49 HD21 LEU 49 93.879 -0.836 0.716 441 2HD2 LEU 49 HD22 LEU 49 94.671 -0.755 2.288 442 3HD2 LEU 49 HD23 LEU 49 95.598 -1.198 0.857 443 H THR 50 HN THR 50 97.072 2.853 4.900 444 HA THR 50 HA THR 50 98.068 0.424 6.170 445 HB THR 50 HB THR 50 99.494 1.991 7.463 446 HG1 THR 50 HG1 THR 50 97.565 3.700 6.633 447 1HG2 THR 50 HG21 THR 50 100.317 1.305 5.304 448 2HG2 THR 50 HG22 THR 50 100.631 3.033 5.466 449 3HG2 THR 50 HG23 THR 50 99.280 2.471 4.482 450 H ASN 51 HN ASN 51 95.367 2.343 6.645 451 HA ASN 51 HA ASN 51 95.327 2.092 9.593 452 1HB ASN 51 HB2 ASN 51 93.483 3.329 7.544 453 2HB ASN 51 HB1 ASN 51 92.949 3.081 9.206 454 1HD2 ASN 51 HD21 ASN 51 93.124 5.715 8.348 455 2HD2 ASN 51 HD22 ASN 51 94.465 6.477 9.056 456 H ILE 52 HN ILE 52 93.939 0.532 6.755 457 HA ILE 52 HA ILE 52 91.854 -0.920 8.030 458 HB ILE 52 HB ILE 52 93.616 -1.739 5.698 459 1HG1 ILE 52 HG12 ILE 52 90.841 -0.509 5.743 460 2HG1 ILE 52 HG11 ILE 52 92.319 0.409 5.465 461 1HG2 ILE 52 HG21 ILE 52 92.514 -3.705 6.575 462 2HG2 ILE 52 HG22 ILE 52 91.623 -3.201 5.140 463 3HG2 ILE 52 HG23 ILE 52 90.989 -2.836 6.745 464 1HD1 ILE 52 HD11 ILE 52 91.093 -1.735 3.730 465 2HD1 ILE 52 HD12 ILE 52 92.789 -1.281 3.566 466 3HD1 ILE 52 HD13 ILE 52 91.525 -0.084 3.289 467 H LYS 53 HN LYS 53 92.022 -2.357 9.668 468 HA LYS 53 HA LYS 53 94.641 -3.542 10.314 469 1HB LYS 53 HB2 LYS 53 92.637 -2.629 11.899 470 2HB LYS 53 HB1 LYS 53 92.175 -4.327 11.832 471 1HG LYS 53 HG2 LYS 53 94.717 -4.758 12.379 472 2HG LYS 53 HG1 LYS 53 94.692 -3.086 12.931 473 1HD LYS 53 HD2 LYS 53 94.109 -4.166 14.908 474 2HD LYS 53 HD1 LYS 53 92.506 -3.883 14.233 475 1HE LYS 53 HE2 LYS 53 92.496 -6.173 14.864 476 2HE LYS 53 HE1 LYS 53 92.761 -6.197 13.121 477 1HZ LYS 53 HZ1 LYS 53 95.239 -5.951 14.407 478 2HZ LYS 53 HZ2 LYS 53 94.670 -7.233 13.448 479 3HZ LYS 53 HZ3 LYS 53 94.400 -7.238 15.125 480 H ARG 54 HN ARG 54 91.349 -4.743 9.567 481 HA ARG 54 HA ARG 54 92.528 -7.068 8.178 482 1HB ARG 54 HB2 ARG 54 91.080 -8.654 9.515 483 2HB ARG 54 HB1 ARG 54 92.415 -7.956 10.428 484 1HG ARG 54 HG2 ARG 54 91.000 -6.482 11.612 485 2HG ARG 54 HG1 ARG 54 89.704 -6.631 10.434 486 1HD ARG 54 HD2 ARG 54 89.005 -8.697 11.255 487 2HD ARG 54 HD1 ARG 54 90.578 -9.075 11.955 488 HE ARG 54 HE ARG 54 89.639 -6.812 13.340 489 1HH1 ARG 54 HH21 ARG 54 88.619 -10.040 12.670 490 2HH1 ARG 54 HH22 ARG 54 87.708 -10.198 14.136 491 1HH2 ARG 54 HH11 ARG 54 88.455 -7.005 15.260 492 2HH2 ARG 54 HH12 ARG 54 87.617 -8.482 15.600 493 H TRP 55 HN TRP 55 90.516 -8.525 7.481 494 HA TRP 55 HA TRP 55 88.044 -7.023 7.107 495 1HB TRP 55 HB2 TRP 55 88.123 -7.117 4.613 496 2HB TRP 55 HB1 TRP 55 89.345 -6.043 5.289 497 HD1 TRP 55 HD1 TRP 55 88.982 -9.619 3.904 498 HE1 TRP 55 HE1 TRP 55 91.256 -10.348 2.926 499 HE3 TRP 55 HE3 TRP 55 91.837 -5.588 5.201 500 HZ2 TRP 55 HZ2 TRP 55 93.922 -9.346 2.707 501 HZ3 TRP 55 HZ3 TRP 55 94.235 -5.501 4.590 502 HH2 TRP 55 HH2 TRP 55 95.279 -7.376 3.345 503 H ALA 56 HN ALA 56 86.504 -8.358 5.710 504 HA ALA 56 HA ALA 56 87.141 -11.252 5.660 505 1HB ALA 56 HB1 ALA 56 84.803 -11.592 6.822 506 2HB ALA 56 HB2 ALA 56 85.085 -9.971 7.457 507 3HB ALA 56 HB3 ALA 56 86.221 -11.269 7.819 508 H ALA 57 HN ALA 57 86.726 -11.516 3.507 509 HA ALA 57 HA ALA 57 84.354 -10.174 2.306 510 1HB ALA 57 HB1 ALA 57 86.627 -10.023 1.239 511 2HB ALA 57 HB2 ALA 57 85.370 -10.665 0.187 512 3HB ALA 57 HB3 ALA 57 86.534 -11.756 0.932 513 H SER 58 HN SER 58 82.672 -11.304 1.404 514 HA SER 58 HA SER 58 82.805 -14.250 1.271 515 1HB SER 58 HB2 SER 58 81.209 -12.684 3.207 516 2HB SER 58 HB1 SER 58 80.287 -13.908 2.343 517 HG SER 58 HG SER 58 81.238 -14.803 4.182 518 HA PRO 59 HA PRO 59 80.557 -13.603 -2.460 519 1HB PRO 59 HB2 PRO 59 78.574 -15.635 -2.213 520 2HB PRO 59 HB1 PRO 59 80.168 -15.806 -2.958 521 1HG PRO 59 HG2 PRO 59 79.243 -16.745 -0.302 522 2HG PRO 59 HG1 PRO 59 80.623 -17.299 -1.265 523 1HD PRO 59 HD2 PRO 59 80.802 -15.711 1.037 524 2HD PRO 59 HD1 PRO 59 82.075 -15.876 -0.187 525 H LYS 60 HN LYS 60 79.555 -12.182 0.070 526 HA LYS 60 HA LYS 60 76.910 -11.455 -1.040 527 1HB LYS 60 HB2 LYS 60 75.762 -11.787 1.071 528 2HB LYS 60 HB1 LYS 60 76.532 -13.299 0.601 529 1HG LYS 60 HG2 LYS 60 78.546 -12.413 2.032 530 2HG LYS 60 HG1 LYS 60 77.329 -11.374 2.760 531 1HD LYS 60 HD2 LYS 60 75.945 -13.491 3.125 532 2HD LYS 60 HD1 LYS 60 77.405 -14.389 2.705 533 1HE LYS 60 HE2 LYS 60 77.244 -12.318 4.914 534 2HE LYS 60 HE1 LYS 60 77.149 -14.060 5.171 535 1HZ LYS 60 HZ1 LYS 60 79.435 -12.454 4.228 536 2HZ LYS 60 HZ2 LYS 60 79.340 -14.114 3.874 537 3HZ LYS 60 HZ3 LYS 60 79.377 -13.586 5.489 538 H SER 61 HN SER 61 79.337 -10.872 1.504 539 HA SER 61 HA SER 61 78.921 -7.948 1.104 540 1HB SER 61 HB2 SER 61 78.716 -9.365 3.768 541 2HB SER 61 HB1 SER 61 78.837 -7.620 3.578 542 HG SER 61 HG SER 61 76.765 -9.379 2.847 543 H PHE 62 HN PHE 62 80.566 -6.667 2.307 544 HA PHE 62 HA PHE 62 83.179 -8.112 2.604 545 1HB PHE 62 HB2 PHE 62 83.098 -6.856 0.461 546 2HB PHE 62 HB1 PHE 62 82.705 -5.384 1.346 547 HD1 PHE 62 HD1 PHE 62 85.237 -8.161 1.517 548 HD2 PHE 62 HD2 PHE 62 84.493 -3.940 1.791 549 HE1 PHE 62 HE1 PHE 62 87.651 -7.762 1.900 550 HE2 PHE 62 HE2 PHE 62 86.912 -3.544 2.168 551 HZ PHE 62 HZ PHE 62 88.489 -5.452 2.224 552 H THR 63 HN THR 63 84.397 -7.434 4.408 553 HA THR 63 HA THR 63 83.294 -5.151 6.023 554 HB THR 63 HB THR 63 84.053 -7.925 6.968 555 HG1 THR 63 HG1 THR 63 81.946 -7.992 7.592 556 1HG2 THR 63 HG21 THR 63 84.984 -6.544 8.635 557 2HG2 THR 63 HG22 THR 63 83.368 -6.897 9.248 558 3HG2 THR 63 HG23 THR 63 83.700 -5.342 8.485 559 H LEU 64 HN LEU 64 84.833 -3.914 7.091 560 HA LEU 64 HA LEU 64 87.692 -4.765 6.915 561 1HB LEU 64 HB2 LEU 64 88.137 -2.219 6.450 562 2HB LEU 64 HB1 LEU 64 87.720 -3.282 5.110 563 HG LEU 64 HG LEU 64 85.459 -1.976 6.579 564 1HD1 LEU 64 HD11 LEU 64 86.784 -0.033 6.356 565 2HD1 LEU 64 HD12 LEU 64 85.724 0.001 4.948 566 3HD1 LEU 64 HD13 LEU 64 87.399 -0.527 4.779 567 1HD2 LEU 64 HD21 LEU 64 84.302 -2.293 4.586 568 2HD2 LEU 64 HD22 LEU 64 85.457 -3.615 4.471 569 3HD2 LEU 64 HD23 LEU 64 85.745 -2.117 3.590 570 H ASP 65 HN ASP 65 89.038 -3.678 8.509 571 HA ASP 65 HA ASP 65 87.507 -2.399 10.755 572 1HB ASP 65 HB2 ASP 65 89.758 -4.407 11.070 573 2HB ASP 65 HB1 ASP 65 88.833 -3.656 12.365 574 H PHE 66 HN PHE 66 88.348 -0.462 11.267 575 HA PHE 66 HA PHE 66 91.039 0.261 10.236 576 1HB PHE 66 HB2 PHE 66 88.815 1.887 11.506 577 2HB PHE 66 HB1 PHE 66 90.362 2.562 10.998 578 HD1 PHE 66 HD1 PHE 66 91.090 1.844 8.514 579 HD2 PHE 66 HD2 PHE 66 87.050 1.987 9.965 580 HE1 PHE 66 HE1 PHE 66 90.262 2.036 6.186 581 HE2 PHE 66 HE2 PHE 66 86.223 2.178 7.636 582 HZ PHE 66 HZ PHE 66 87.828 2.203 5.745 583 H GLY 67 HN GLY 67 89.765 -1.112 12.951 584 1HA GLY 67 HA2 GLY 67 90.923 -1.636 14.963 585 2HA GLY 67 HA1 GLY 67 92.147 -0.438 14.543 586 H ASP 68 HN ASP 68 89.425 1.213 14.003 587 HA ASP 68 HA ASP 68 89.553 2.532 16.640 588 1HB ASP 68 HB2 ASP 68 87.711 3.321 14.396 589 2HB ASP 68 HB1 ASP 68 88.441 4.336 15.633 590 H TYR 69 HN TYR 69 88.541 0.836 17.916 591 HA TYR 69 HA TYR 69 86.106 -0.432 17.461 592 1HB TYR 69 HB2 TYR 69 87.437 -0.930 19.436 593 2HB TYR 69 HB1 TYR 69 87.172 0.698 20.063 594 HD1 TYR 69 HD1 TYR 69 85.203 1.245 21.277 595 HD2 TYR 69 HD2 TYR 69 85.444 -2.460 19.121 596 HE1 TYR 69 HE1 TYR 69 83.091 0.490 22.340 597 HE2 TYR 69 HE2 TYR 69 83.334 -3.218 20.182 598 HH TYR 69 HH TYR 69 81.649 -2.668 21.517 599 H GLN 70 HN GLN 70 86.646 2.813 18.788 600 HA GLN 70 HA GLN 70 84.021 3.550 19.407 601 1HB GLN 70 HB2 GLN 70 84.923 5.898 18.381 602 2HB GLN 70 HB1 GLN 70 85.452 5.285 19.938 603 1HG GLN 70 HG2 GLN 70 86.929 4.440 17.466 604 2HG GLN 70 HG1 GLN 70 87.239 6.029 18.152 605 1HE2 GLN 70 HE21 GLN 70 88.814 3.307 18.116 606 2HE2 GLN 70 HE22 GLN 70 89.296 3.133 19.734 607 H ASP 71 HN ASP 71 85.617 4.217 16.262 608 HA ASP 71 HA ASP 71 83.227 4.948 14.918 609 1HB ASP 71 HB2 ASP 71 85.685 5.224 14.175 610 2HB ASP 71 HB1 ASP 71 85.544 3.579 13.569 611 H GLY 72 HN GLY 72 84.674 1.858 15.635 612 1HA GLY 72 HA2 GLY 72 83.615 -0.260 15.631 613 2HA GLY 72 HA1 GLY 72 82.193 0.491 14.909 614 H TYR 73 HN TYR 73 82.866 -1.865 13.811 615 HA TYR 73 HA TYR 73 84.794 -1.653 11.662 616 1HB TYR 73 HB2 TYR 73 82.465 -3.576 11.878 617 2HB TYR 73 HB1 TYR 73 83.924 -3.789 10.920 618 HD1 TYR 73 HD1 TYR 73 86.175 -3.382 12.400 619 HD2 TYR 73 HD2 TYR 73 82.400 -4.778 13.884 620 HE1 TYR 73 HE1 TYR 73 87.326 -4.423 14.334 621 HE2 TYR 73 HE2 TYR 73 83.546 -5.819 15.821 622 HH TYR 73 HH TYR 73 87.038 -6.001 16.009 623 H TYR 74 HN TYR 74 84.063 -1.954 9.337 624 HA TYR 74 HA TYR 74 81.562 -0.444 8.720 625 1HB TYR 74 HB2 TYR 74 83.602 1.010 8.491 626 2HB TYR 74 HB1 TYR 74 84.223 -0.135 7.308 627 HD1 TYR 74 HD1 TYR 74 81.496 2.283 8.009 628 HD2 TYR 74 HD2 TYR 74 83.389 -0.204 5.065 629 HE1 TYR 74 HE1 TYR 74 80.188 3.400 6.224 630 HE2 TYR 74 HE2 TYR 74 82.079 0.910 3.278 631 HH TYR 74 HH TYR 74 80.610 3.761 3.587 632 H SER 75 HN SER 75 80.367 -2.054 7.838 633 HA SER 75 HA SER 75 81.595 -3.747 5.706 634 1HB SER 75 HB2 SER 75 79.944 -5.497 6.415 635 2HB SER 75 HB1 SER 75 81.158 -5.136 7.637 636 HG SER 75 HG SER 75 79.258 -3.436 8.076 637 H VAL 76 HN VAL 76 80.192 -4.386 4.012 638 HA VAL 76 HA VAL 76 77.574 -3.027 3.772 639 HB VAL 76 HB VAL 76 78.212 -2.020 1.584 640 1HG1 VAL 76 HG11 VAL 76 78.392 -0.783 3.813 641 2HG1 VAL 76 HG12 VAL 76 79.370 -0.133 2.497 642 3HG1 VAL 76 HG13 VAL 76 80.123 -1.114 3.753 643 1HG2 VAL 76 HG21 VAL 76 80.053 -3.509 0.998 644 2HG2 VAL 76 HG22 VAL 76 80.970 -2.987 2.410 645 3HG2 VAL 76 HG23 VAL 76 80.669 -1.860 1.089 646 H GLN 77 HN GLN 77 76.499 -3.781 1.676 647 HA GLN 77 HA GLN 77 76.937 -6.648 1.408 648 1HB GLN 77 HB2 GLN 77 74.981 -4.662 0.262 649 2HB GLN 77 HB1 GLN 77 75.059 -6.298 -0.381 650 1HG GLN 77 HG2 GLN 77 74.786 -7.112 2.029 651 2HG GLN 77 HG1 GLN 77 74.395 -5.444 2.443 652 1HE2 GLN 77 HE21 GLN 77 72.146 -5.902 2.918 653 2HE2 GLN 77 HE22 GLN 77 71.041 -6.326 1.701 654 H THR 78 HN THR 78 77.802 -7.709 -0.357 655 HA THR 78 HA THR 78 78.582 -6.188 -2.764 656 HB THR 78 HB THR 78 80.918 -6.804 -2.630 657 HG1 THR 78 HG1 THR 78 81.389 -7.732 -0.335 658 1HG2 THR 78 HG21 THR 78 81.642 -5.443 -0.781 659 2HG2 THR 78 HG22 THR 78 80.138 -5.733 0.093 660 3HG2 THR 78 HG23 THR 78 80.133 -4.756 -1.374 661 H THR 79 HN THR 79 78.154 -7.486 -4.461 662 HA THR 79 HA THR 79 77.326 -10.215 -4.142 663 HB THR 79 HB THR 79 78.316 -8.887 -6.681 664 HG1 THR 79 HG1 THR 79 75.799 -8.839 -5.388 665 1HG2 THR 79 HG21 THR 79 76.865 -10.490 -7.794 666 2HG2 THR 79 HG22 THR 79 76.291 -11.096 -6.241 667 3HG2 THR 79 HG23 THR 79 77.966 -11.359 -6.725 668 H GLU 80 HN GLU 80 80.373 -8.654 -4.796 669 HA GLU 80 HA GLU 80 81.722 -11.289 -5.140 670 1HB GLU 80 HB2 GLU 80 82.815 -8.513 -5.632 671 2HB GLU 80 HB1 GLU 80 83.575 -10.041 -6.078 672 1HG GLU 80 HG2 GLU 80 80.865 -9.179 -7.115 673 2HG GLU 80 HG1 GLU 80 82.364 -8.870 -7.971 674 H GLY 81 HN GLY 81 82.705 -8.183 -3.787 675 1HA GLY 81 HA2 GLY 81 83.610 -7.653 -1.679 676 2HA GLY 81 HA1 GLY 81 83.016 -9.209 -1.098 677 H GLU 82 HN GLU 82 84.410 -10.709 -3.219 678 HA GLU 82 HA GLU 82 86.938 -11.076 -1.864 679 1HB GLU 82 HB2 GLU 82 85.991 -13.022 -2.854 680 2HB GLU 82 HB1 GLU 82 85.699 -12.198 -4.379 681 1HG GLU 82 HG2 GLU 82 87.965 -12.230 -4.978 682 2HG GLU 82 HG1 GLU 82 88.494 -12.543 -3.332 683 H GLN 83 HN GLN 83 86.154 -10.070 -5.186 684 HA GLN 83 HA GLN 83 88.710 -9.297 -6.017 685 1HB GLN 83 HB2 GLN 83 86.231 -7.706 -6.668 686 2HB GLN 83 HB1 GLN 83 87.659 -7.911 -7.665 687 1HG GLN 83 HG2 GLN 83 87.144 -10.267 -7.974 688 2HG GLN 83 HG1 GLN 83 85.779 -10.135 -6.880 689 1HE2 GLN 83 HE21 GLN 83 84.076 -10.499 -8.328 690 2HE2 GLN 83 HE22 GLN 83 83.747 -9.507 -9.663 691 H ILE 84 HN ILE 84 86.278 -7.352 -4.349 692 HA ILE 84 HA ILE 84 87.751 -4.953 -4.095 693 HB ILE 84 HB ILE 84 85.950 -6.171 -1.977 694 1HG1 ILE 84 HG12 ILE 84 85.276 -4.578 -4.471 695 2HG1 ILE 84 HG11 ILE 84 84.792 -6.237 -4.118 696 1HG2 ILE 84 HG21 ILE 84 86.403 -3.265 -2.695 697 2HG2 ILE 84 HG22 ILE 84 87.311 -4.094 -1.433 698 3HG2 ILE 84 HG23 ILE 84 85.567 -3.905 -1.281 699 1HD1 ILE 84 HD11 ILE 84 83.670 -5.250 -2.003 700 2HD1 ILE 84 HD12 ILE 84 82.888 -4.955 -3.556 701 3HD1 ILE 84 HD13 ILE 84 83.855 -3.688 -2.803 702 H ALA 85 HN ALA 85 87.956 -8.006 -2.406 703 HA ALA 85 HA ALA 85 89.885 -7.007 -0.421 704 1HB ALA 85 HB1 ALA 85 89.786 -9.179 0.513 705 2HB ALA 85 HB2 ALA 85 89.268 -9.905 -1.010 706 3HB ALA 85 HB3 ALA 85 88.155 -8.896 -0.090 707 H GLN 86 HN GLN 86 89.877 -8.684 -3.508 708 HA GLN 86 HA GLN 86 92.680 -9.462 -3.364 709 1HB GLN 86 HB2 GLN 86 90.788 -10.500 -4.798 710 2HB GLN 86 HB1 GLN 86 91.105 -9.173 -5.906 711 1HG GLN 86 HG2 GLN 86 92.492 -10.949 -6.650 712 2HG GLN 86 HG1 GLN 86 93.567 -9.873 -5.778 713 1HE2 GLN 86 HE21 GLN 86 94.492 -12.422 -5.960 714 2HE2 GLN 86 HE22 GLN 86 94.290 -13.256 -4.500 715 H LEU 87 HN LEU 87 90.813 -6.835 -4.764 716 HA LEU 87 HA LEU 87 93.039 -5.582 -6.091 717 1HB LEU 87 HB2 LEU 87 90.738 -5.061 -6.754 718 2HB LEU 87 HB1 LEU 87 90.380 -4.473 -5.133 719 HG LEU 87 HG LEU 87 91.970 -2.645 -5.394 720 1HD1 LEU 87 HD11 LEU 87 93.731 -3.447 -6.723 721 2HD1 LEU 87 HD12 LEU 87 92.897 -2.374 -7.846 722 3HD1 LEU 87 HD13 LEU 87 92.645 -4.116 -7.941 723 1HD2 LEU 87 HD21 LEU 87 90.875 -1.520 -7.420 724 2HD2 LEU 87 HD22 LEU 87 89.776 -2.116 -6.177 725 3HD2 LEU 87 HD23 LEU 87 90.005 -3.035 -7.664 726 H ILE 88 HN ILE 88 91.500 -5.322 -2.959 727 HA ILE 88 HA ILE 88 93.186 -3.147 -2.021 728 HB ILE 88 HB ILE 88 91.251 -5.068 -0.709 729 1HG1 ILE 88 HG12 ILE 88 91.237 -2.044 -0.948 730 2HG1 ILE 88 HG11 ILE 88 90.438 -3.120 -2.091 731 1HG2 ILE 88 HG21 ILE 88 93.084 -3.032 0.586 732 2HG2 ILE 88 HG22 ILE 88 92.869 -4.726 1.020 733 3HG2 ILE 88 HG23 ILE 88 91.591 -3.562 1.357 734 1HD1 ILE 88 HD11 ILE 88 89.816 -2.734 0.841 735 2HD1 ILE 88 HD12 ILE 88 89.210 -4.112 -0.075 736 3HD1 ILE 88 HD13 ILE 88 88.749 -2.474 -0.539 737 H ALA 89 HN ALA 89 93.000 -6.648 -1.353 738 HA ALA 89 HA ALA 89 95.317 -6.787 0.303 739 1HB ALA 89 HB1 ALA 89 94.198 -8.902 -1.565 740 2HB ALA 89 HB2 ALA 89 93.692 -8.642 0.105 741 3HB ALA 89 HB3 ALA 89 95.330 -9.192 -0.244 742 H GLY 90 HN GLY 90 94.943 -6.270 -3.063 743 1HA GLY 90 HA2 GLY 90 97.607 -7.261 -3.795 744 2HA GLY 90 HA1 GLY 90 96.475 -6.441 -4.866 745 H TYR 91 HN TYR 91 96.134 -4.152 -2.959 746 HA TYR 91 HA TYR 91 98.472 -2.643 -3.882 747 1HB TYR 91 HB2 TYR 91 95.976 -1.937 -2.337 748 2HB TYR 91 HB1 TYR 91 97.293 -0.780 -2.488 749 HD1 TYR 91 HD1 TYR 91 94.248 -1.615 -3.858 750 HD2 TYR 91 HD2 TYR 91 98.275 -0.750 -5.099 751 HE1 TYR 91 HE1 TYR 91 93.421 -0.935 -6.088 752 HE2 TYR 91 HE2 TYR 91 97.442 -0.089 -7.332 753 HH TYR 91 HH TYR 91 95.654 -0.120 -8.711 754 H ILE 92 HN ILE 92 97.319 -4.041 -0.887 755 HA ILE 92 HA ILE 92 99.113 -2.648 0.863 756 HB ILE 92 HB ILE 92 97.830 -5.369 1.183 757 1HG1 ILE 92 HG12 ILE 92 96.922 -2.643 2.164 758 2HG1 ILE 92 HG11 ILE 92 96.276 -3.439 0.728 759 1HG2 ILE 92 HG21 ILE 92 99.183 -3.461 3.103 760 2HG2 ILE 92 HG22 ILE 92 99.587 -5.149 2.794 761 3HG2 ILE 92 HG23 ILE 92 98.100 -4.740 3.646 762 1HD1 ILE 92 HD11 ILE 92 96.162 -4.485 3.573 763 2HD1 ILE 92 HD12 ILE 92 95.627 -5.387 2.156 764 3HD1 ILE 92 HD13 ILE 92 94.802 -3.898 2.616 765 H ASP 93 HN ASP 93 99.482 -5.443 -1.197 766 HA ASP 93 HA ASP 93 101.993 -6.284 0.078 767 1HB ASP 93 HB2 ASP 93 100.437 -7.206 -2.342 768 2HB ASP 93 HB1 ASP 93 102.037 -7.843 -1.966 769 H ILE 94 HN ILE 94 101.000 -4.147 -2.451 770 HA ILE 94 HA ILE 94 103.624 -4.160 -3.784 771 HB ILE 94 HB ILE 94 101.164 -2.441 -4.179 772 1HG1 ILE 94 HG12 ILE 94 102.300 -4.612 -5.957 773 2HG1 ILE 94 HG11 ILE 94 101.089 -4.947 -4.719 774 1HG2 ILE 94 HG21 ILE 94 103.832 -2.577 -5.597 775 2HG2 ILE 94 HG22 ILE 94 103.002 -1.154 -4.968 776 3HG2 ILE 94 HG23 ILE 94 102.384 -1.971 -6.403 777 1HD1 ILE 94 HD11 ILE 94 99.467 -3.582 -5.783 778 2HD1 ILE 94 HD12 ILE 94 100.231 -4.465 -7.103 779 3HD1 ILE 94 HD13 ILE 94 100.676 -2.788 -6.792 780 H ILE 95 HN ILE 95 102.004 -2.360 -1.286 781 HA ILE 95 HA ILE 95 103.870 -0.083 -1.478 782 HB ILE 95 HB ILE 95 102.747 0.647 0.640 783 1HG1 ILE 95 HG12 ILE 95 101.195 -1.921 0.194 784 2HG1 ILE 95 HG11 ILE 95 102.196 -1.519 1.589 785 1HG2 ILE 95 HG21 ILE 95 100.703 1.276 -0.426 786 2HG2 ILE 95 HG22 ILE 95 100.736 -0.142 -1.473 787 3HG2 ILE 95 HG23 ILE 95 101.905 1.156 -1.711 788 1HD1 ILE 95 HD11 ILE 95 99.536 -0.344 0.791 789 2HD1 ILE 95 HD12 ILE 95 100.625 0.531 1.867 790 3HD1 ILE 95 HD13 ILE 95 100.007 -1.052 2.335 791 H LEU 96 HN LEU 96 103.405 -2.981 0.425 792 HA LEU 96 HA LEU 96 105.590 -2.339 2.277 793 1HB LEU 96 HB2 LEU 96 103.616 -4.559 1.887 794 2HB LEU 96 HB1 LEU 96 105.060 -4.904 2.840 795 HG LEU 96 HG LEU 96 103.464 -2.413 3.442 796 1HD1 LEU 96 HD11 LEU 96 102.737 -5.248 4.180 797 2HD1 LEU 96 HD12 LEU 96 101.702 -3.996 3.496 798 3HD1 LEU 96 HD13 LEU 96 102.240 -3.876 5.172 799 1HD2 LEU 96 HD21 LEU 96 105.743 -3.083 4.484 800 2HD2 LEU 96 HD22 LEU 96 104.835 -4.319 5.353 801 3HD2 LEU 96 HD23 LEU 96 104.452 -2.614 5.590 802 H LYS 97 HN LYS 97 105.197 -4.001 -0.739 803 HA LYS 97 HA LYS 97 107.523 -5.697 -0.537 804 1HB LYS 97 HB2 LYS 97 105.850 -6.258 -2.155 805 2HB LYS 97 HB1 LYS 97 105.955 -4.670 -2.902 806 1HG LYS 97 HG2 LYS 97 108.539 -6.148 -2.803 807 2HG LYS 97 HG1 LYS 97 107.308 -6.905 -3.801 808 1HD LYS 97 HD2 LYS 97 106.989 -4.748 -5.005 809 2HD LYS 97 HD1 LYS 97 108.305 -4.061 -4.056 810 1HE LYS 97 HE2 LYS 97 108.453 -6.338 -6.039 811 2HE LYS 97 HE1 LYS 97 109.284 -4.784 -6.117 812 1HZ LYS 97 HZ1 LYS 97 109.792 -7.049 -4.287 813 2HZ LYS 97 HZ2 LYS 97 110.342 -5.481 -3.932 814 3HZ LYS 97 HZ3 LYS 97 110.877 -6.275 -5.336 815 H LYS 98 HN LYS 98 106.993 -2.413 -1.780 816 HA LYS 98 HA LYS 98 109.606 -2.097 -2.915 817 1HB LYS 98 HB2 LYS 98 107.821 0.055 -1.741 818 2HB LYS 98 HB1 LYS 98 109.107 0.286 -2.922 819 1HG LYS 98 HG2 LYS 98 106.739 -1.514 -3.463 820 2HG LYS 98 HG1 LYS 98 106.710 0.204 -3.840 821 1HD LYS 98 HD2 LYS 98 108.836 -0.172 -5.185 822 2HD LYS 98 HD1 LYS 98 108.566 -1.902 -4.966 823 1HE LYS 98 HE2 LYS 98 107.591 -1.256 -7.086 824 2HE LYS 98 HE1 LYS 98 106.279 -1.606 -5.961 825 1HZ LYS 98 HZ1 LYS 98 107.144 0.948 -7.077 826 2HZ LYS 98 HZ2 LYS 98 106.580 0.957 -5.475 827 3HZ LYS 98 HZ3 LYS 98 105.581 0.392 -6.727 828 H LYS 99 HN LYS 99 108.285 -1.400 0.308 829 HA LYS 99 HA LYS 99 110.624 -0.166 1.361 830 1HB LYS 99 HB2 LYS 99 108.594 -1.829 2.858 831 2HB LYS 99 HB1 LYS 99 109.669 -0.617 3.549 832 1HG LYS 99 HG2 LYS 99 108.594 1.113 2.124 833 2HG LYS 99 HG1 LYS 99 107.475 -0.110 1.521 834 1HD LYS 99 HD2 LYS 99 106.703 -0.520 3.848 835 2HD LYS 99 HD1 LYS 99 107.772 0.766 4.408 836 1HE LYS 99 HE2 LYS 99 105.616 1.179 2.322 837 2HE LYS 99 HE1 LYS 99 105.382 1.495 4.041 838 1HZ LYS 99 HZ1 LYS 99 106.012 3.518 2.998 839 2HZ LYS 99 HZ2 LYS 99 107.341 2.791 2.229 840 3HZ LYS 99 HZ3 LYS 99 107.337 2.994 3.916 841 H LYS 100 HN LYS 100 109.540 -3.562 1.412 842 HA LYS 100 HA LYS 100 112.240 -4.374 2.411 843 1HB LYS 100 HB2 LYS 100 109.573 -5.802 2.297 844 2HB LYS 100 HB1 LYS 100 111.082 -6.609 2.725 845 1HG LYS 100 HG2 LYS 100 111.404 -5.180 4.636 846 2HG LYS 100 HG1 LYS 100 110.083 -4.126 4.141 847 1HD LYS 100 HD2 LYS 100 109.110 -5.454 5.826 848 2HD LYS 100 HD1 LYS 100 108.590 -6.248 4.342 849 1HE LYS 100 HE2 LYS 100 109.416 -7.892 5.989 850 2HE LYS 100 HE1 LYS 100 110.440 -7.871 4.557 851 1HZ LYS 100 HZ1 LYS 100 111.699 -7.856 6.656 852 2HZ LYS 100 HZ2 LYS 100 111.002 -6.357 7.047 853 3HZ LYS 100 HZ3 LYS 100 112.019 -6.497 5.694 854 1H SER 1 HT1 SER 1 88.314 -17.636 10.901 855 2H SER 1 HT2 SER 1 88.726 -17.591 9.253 856 3H SER 1 HT3 SER 1 87.718 -18.823 9.846 857 HA SER 1 HA SER 1 86.314 -17.295 8.740 858 1HB SER 1 HB2 SER 1 85.472 -18.137 10.901 859 2HB SER 1 HB1 SER 1 86.260 -16.802 11.736 860 HG SER 1 HG SER 1 83.992 -16.836 10.109 861 H TRP 2 HN TRP 2 89.061 -16.026 9.014 862 HA TRP 2 HA TRP 2 88.185 -13.287 8.524 863 1HB TRP 2 HB2 TRP 2 89.526 -14.064 11.100 864 2HB TRP 2 HB1 TRP 2 89.973 -12.524 10.373 865 HD1 TRP 2 HD1 TRP 2 87.329 -14.161 12.407 866 HE1 TRP 2 HE1 TRP 2 85.407 -12.498 12.853 867 HE3 TRP 2 HE3 TRP 2 88.593 -10.466 9.129 868 HZ2 TRP 2 HZ2 TRP 2 84.530 -9.931 11.936 869 HZ3 TRP 2 HZ3 TRP 2 87.205 -8.422 8.935 870 HH2 TRP 2 HH2 TRP 2 85.182 -8.151 10.334 871 H VAL 3 HN VAL 3 90.339 -11.894 8.337 872 HA VAL 3 HA VAL 3 92.672 -13.410 7.439 873 HB VAL 3 HB VAL 3 91.470 -13.550 5.388 874 1HG1 VAL 3 HG11 VAL 3 90.783 -10.639 5.811 875 2HG1 VAL 3 HG12 VAL 3 89.668 -11.999 5.981 876 3HG1 VAL 3 HG13 VAL 3 90.334 -11.592 4.399 877 1HG2 VAL 3 HG21 VAL 3 93.841 -12.488 5.356 878 2HG2 VAL 3 HG22 VAL 3 93.005 -10.973 5.003 879 3HG2 VAL 3 HG23 VAL 3 92.854 -12.340 3.899 880 1HN PTR 4 HN PTR 4 94.509 -12.137 7.642 881 HA PTR 4 HA PTR 4 94.071 -9.260 8.415 882 1HB PTR 4 HB1 PTR 4 96.212 -9.621 9.774 883 2HB PTR 4 HB2 PTR 4 95.975 -11.346 9.496 884 HD1 PTR 4 HD1 PTR 4 93.467 -12.193 9.966 885 HD2 PTR 4 HD2 PTR 4 95.259 -8.691 11.703 886 HE1 PTR 4 HE1 PTR 4 91.830 -12.273 11.821 887 HE2 PTR 4 HE2 PTR 4 93.615 -8.776 13.558 888 H SER 5 HN SER 5 95.835 -7.811 7.884 889 HA SER 5 HA SER 5 97.186 -8.590 5.356 890 1HB SER 5 HB2 SER 5 96.874 -6.403 4.737 891 2HB SER 5 HB1 SER 5 95.799 -6.311 6.123 892 HG SER 5 HG SER 5 98.518 -5.572 5.915 893 HA PRO 6 HA PRO 6 101.165 -8.805 7.269 894 1HB PRO 6 HB2 PRO 6 102.665 -7.219 5.417 895 2HB PRO 6 HB1 PRO 6 102.457 -8.973 5.384 896 1HG PRO 6 HG2 PRO 6 101.221 -6.957 3.640 897 2HG PRO 6 HG1 PRO 6 101.250 -8.717 3.449 898 1HD PRO 6 HD2 PRO 6 99.007 -7.141 4.234 899 2HD PRO 6 HD1 PRO 6 99.125 -8.913 4.272 900 H LEU 7 HN LEU 7 99.847 -5.665 6.402 901 HA LEU 7 HA LEU 7 101.631 -3.874 7.548 902 1HB LEU 7 HB2 LEU 7 98.605 -3.866 7.755 903 2HB LEU 7 HB1 LEU 7 99.621 -2.491 8.166 904 HG LEU 7 HG LEU 7 99.905 -3.765 5.447 905 1HD1 LEU 7 HD11 LEU 7 97.544 -3.420 5.495 906 2HD1 LEU 7 HD12 LEU 7 98.206 -2.014 4.664 907 3HD1 LEU 7 HD13 LEU 7 97.712 -1.889 6.352 908 1HD2 LEU 7 HD21 LEU 7 100.725 -1.620 4.809 909 2HD2 LEU 7 HD22 LEU 7 101.423 -1.899 6.401 910 3HD2 LEU 7 HD23 LEU 7 100.026 -0.839 6.228 911 H HIS 8 HN HIS 8 102.720 -4.654 9.378 912 HA HIS 8 HA HIS 8 101.363 -5.831 11.635 913 1HB HIS 8 HB2 HIS 8 104.074 -4.481 11.629 914 2HB HIS 8 HB1 HIS 8 103.500 -5.724 12.739 915 HD1 HIS 8 HD1 HIS 8 103.126 -8.151 11.707 916 HD2 HIS 8 HD2 HIS 8 105.107 -5.461 9.214 917 HE1 HIS 8 HE1 HIS 8 104.180 -9.529 9.861 Start of MODEL 3 1 1H LEU 1 HT1 LEU 1 87.587 12.009 -13.838 2 2H LEU 1 HT2 LEU 1 88.900 11.676 -12.812 3 3H LEU 1 HT3 LEU 1 88.894 13.088 -13.757 4 HA LEU 1 HA LEU 1 87.869 14.206 -12.166 5 1HB LEU 1 HB2 LEU 1 85.886 11.958 -12.480 6 2HB LEU 1 HB1 LEU 1 85.641 13.215 -11.270 7 HG LEU 1 HG LEU 1 85.857 14.931 -13.093 8 1HD1 LEU 1 HD11 LEU 1 85.463 13.964 -15.441 9 2HD1 LEU 1 HD12 LEU 1 85.982 12.417 -14.771 10 3HD1 LEU 1 HD13 LEU 1 87.088 13.791 -14.781 11 1HD2 LEU 1 HD21 LEU 1 83.701 12.813 -13.351 12 2HD2 LEU 1 HD22 LEU 1 83.616 14.402 -14.112 13 3HD2 LEU 1 HD23 LEU 1 83.644 14.266 -12.354 14 H LYS 2 HN LYS 2 86.660 13.546 -9.787 15 HA LYS 2 HA LYS 2 88.865 12.780 -8.172 16 1HB LYS 2 HB2 LYS 2 85.904 13.037 -7.671 17 2HB LYS 2 HB1 LYS 2 86.996 12.489 -6.401 18 1HG LYS 2 HG2 LYS 2 86.626 14.944 -6.329 19 2HG LYS 2 HG1 LYS 2 88.315 14.531 -6.600 20 1HD LYS 2 HD2 LYS 2 88.204 15.092 -8.898 21 2HD LYS 2 HD1 LYS 2 86.440 15.080 -8.899 22 1HE LYS 2 HE2 LYS 2 88.140 17.052 -7.347 23 2HE LYS 2 HE1 LYS 2 87.389 17.391 -8.906 24 1HZ LYS 2 HZ1 LYS 2 86.230 17.799 -6.503 25 2HZ LYS 2 HZ2 LYS 2 85.580 16.295 -6.954 26 3HZ LYS 2 HZ3 LYS 2 85.394 17.644 -7.971 27 H THR 3 HN THR 3 87.660 10.832 -10.326 28 HA THR 3 HA THR 3 87.969 8.403 -8.624 29 HB THR 3 HB THR 3 85.561 8.655 -8.850 30 HG1 THR 3 HG1 THR 3 85.206 6.691 -9.665 31 1HG2 THR 3 HG21 THR 3 84.506 8.838 -11.069 32 2HG2 THR 3 HG22 THR 3 86.100 8.884 -11.824 33 3HG2 THR 3 HG23 THR 3 85.584 10.200 -10.770 34 H TYR 4 HN TYR 4 89.955 9.450 -10.187 35 HA TYR 4 HA TYR 4 89.917 8.034 -12.795 36 1HB TYR 4 HB2 TYR 4 90.824 10.410 -12.452 37 2HB TYR 4 HB1 TYR 4 92.186 9.655 -11.629 38 HD1 TYR 4 HD1 TYR 4 90.753 10.506 -14.806 39 HD2 TYR 4 HD2 TYR 4 93.489 7.827 -12.876 40 HE1 TYR 4 HE1 TYR 4 91.800 10.002 -16.997 41 HE2 TYR 4 HE2 TYR 4 94.542 7.320 -15.063 42 HH TYR 4 HH TYR 4 93.169 8.499 -18.077 43 H GLY 5 HN GLY 5 90.799 6.032 -12.993 44 1HA GLY 5 HA2 GLY 5 92.092 4.130 -12.520 45 2HA GLY 5 HA1 GLY 5 93.217 5.211 -11.699 46 H VAL 6 HN VAL 6 89.808 4.767 -10.887 47 HA VAL 6 HA VAL 6 90.619 3.456 -8.310 48 HB VAL 6 HB VAL 6 88.336 5.427 -8.559 49 1HG1 VAL 6 HG11 VAL 6 88.523 5.506 -6.145 50 2HG1 VAL 6 HG12 VAL 6 89.986 4.522 -6.183 51 3HG1 VAL 6 HG13 VAL 6 88.435 3.814 -6.636 52 1HG2 VAL 6 HG21 VAL 6 91.266 5.921 -7.987 53 2HG2 VAL 6 HG22 VAL 6 90.011 7.008 -7.393 54 3HG2 VAL 6 HG23 VAL 6 90.217 6.765 -9.126 55 H SER 7 HN SER 7 89.349 1.716 -7.734 56 HA SER 7 HA SER 7 87.291 0.865 -9.705 57 1HB SER 7 HB2 SER 7 89.150 -0.664 -8.916 58 2HB SER 7 HB1 SER 7 88.359 -0.682 -7.346 59 HG SER 7 HG SER 7 87.337 -1.542 -9.847 60 H PHE 8 HN PHE 8 85.444 1.941 -9.184 61 HA PHE 8 HA PHE 8 84.508 2.211 -6.408 62 1HB PHE 8 HB2 PHE 8 82.465 3.169 -7.576 63 2HB PHE 8 HB1 PHE 8 83.974 4.011 -7.918 64 HD1 PHE 8 HD1 PHE 8 85.113 3.730 -10.089 65 HD2 PHE 8 HD2 PHE 8 81.336 1.854 -9.273 66 HE1 PHE 8 HE1 PHE 8 84.809 3.288 -12.510 67 HE2 PHE 8 HE2 PHE 8 81.032 1.413 -11.694 68 HZ PHE 8 HZ PHE 8 82.768 2.129 -13.313 69 H PHE 9 HN PHE 9 83.470 0.542 -5.401 70 HA PHE 9 HA PHE 9 82.145 -1.572 -7.058 71 1HB PHE 9 HB2 PHE 9 83.267 -1.494 -4.255 72 2HB PHE 9 HB1 PHE 9 82.093 -2.728 -4.703 73 HD1 PHE 9 HD1 PHE 9 85.396 -1.269 -5.659 74 HD2 PHE 9 HD2 PHE 9 82.754 -4.646 -5.925 75 HE1 PHE 9 HE1 PHE 9 87.209 -2.609 -6.694 76 HE2 PHE 9 HE2 PHE 9 84.567 -5.984 -6.963 77 HZ PHE 9 HZ PHE 9 86.794 -4.963 -7.348 78 H LEU 10 HN LEU 10 79.921 -1.722 -7.015 79 HA LEU 10 HA LEU 10 78.418 0.273 -5.490 80 1HB LEU 10 HB2 LEU 10 77.631 -0.333 -7.713 81 2HB LEU 10 HB1 LEU 10 77.512 -2.025 -7.249 82 HG LEU 10 HG LEU 10 75.983 -0.345 -5.370 83 1HD1 LEU 10 HD11 LEU 10 75.816 1.083 -7.451 84 2HD1 LEU 10 HD12 LEU 10 74.276 0.487 -6.833 85 3HD1 LEU 10 HD13 LEU 10 75.020 -0.278 -8.238 86 1HD2 LEU 10 HD21 LEU 10 75.589 -2.734 -5.569 87 2HD2 LEU 10 HD22 LEU 10 75.247 -2.582 -7.291 88 3HD2 LEU 10 HD23 LEU 10 74.139 -1.890 -6.108 89 H VAL 11 HN VAL 11 78.402 -0.091 -3.352 90 HA VAL 11 HA VAL 11 77.579 -2.808 -2.372 91 HB VAL 11 HB VAL 11 78.732 -2.288 -0.303 92 1HG1 VAL 11 HG11 VAL 11 80.608 -1.445 -2.522 93 2HG1 VAL 11 HG12 VAL 11 80.019 -3.101 -2.381 94 3HG1 VAL 11 HG13 VAL 11 80.981 -2.393 -1.084 95 1HG2 VAL 11 HG21 VAL 11 78.446 0.014 0.052 96 2HG2 VAL 11 HG22 VAL 11 79.000 0.437 -1.568 97 3HG2 VAL 11 HG23 VAL 11 80.159 -0.087 -0.350 98 H LYS 12 HN LYS 12 75.988 -2.788 -0.663 99 HA LYS 12 HA LYS 12 74.348 -0.274 -0.633 100 1HB LYS 12 HB2 LYS 12 73.676 -3.172 -0.737 101 2HB LYS 12 HB1 LYS 12 72.663 -2.210 0.337 102 1HG LYS 12 HG2 LYS 12 71.979 -0.764 -1.429 103 2HG LYS 12 HG1 LYS 12 73.228 -1.382 -2.522 104 1HD LYS 12 HD2 LYS 12 72.115 -3.624 -2.428 105 2HD LYS 12 HD1 LYS 12 70.828 -2.899 -1.462 106 1HE LYS 12 HE2 LYS 12 70.095 -2.917 -3.767 107 2HE LYS 12 HE1 LYS 12 70.458 -1.249 -3.327 108 1HZ LYS 12 HZ1 LYS 12 71.443 -1.692 -5.430 109 2HZ LYS 12 HZ2 LYS 12 72.181 -3.113 -4.863 110 3HZ LYS 12 HZ3 LYS 12 72.699 -1.597 -4.295 111 H GLU 13 HN GLU 13 73.508 0.432 1.329 112 HA GLU 13 HA GLU 13 74.881 -0.657 3.772 113 1HB GLU 13 HB2 GLU 13 74.059 2.201 3.191 114 2HB GLU 13 HB1 GLU 13 74.850 1.630 4.657 115 1HG GLU 13 HG2 GLU 13 76.743 0.804 3.199 116 2HG GLU 13 HG1 GLU 13 75.983 1.649 1.851 117 H LYS 14 HN LYS 14 73.616 -0.345 5.753 118 HA LYS 14 HA LYS 14 70.674 -0.547 5.235 119 1HB LYS 14 HB2 LYS 14 72.147 -1.481 7.708 120 2HB LYS 14 HB1 LYS 14 70.534 -1.934 7.178 121 1HG LYS 14 HG2 LYS 14 73.078 -2.601 5.656 122 2HG LYS 14 HG1 LYS 14 72.284 -3.706 6.766 123 1HD LYS 14 HD2 LYS 14 71.059 -2.548 4.232 124 2HD LYS 14 HD1 LYS 14 71.640 -4.196 4.445 125 1HE LYS 14 HE2 LYS 14 69.173 -2.908 5.565 126 2HE LYS 14 HE1 LYS 14 69.377 -4.510 4.864 127 1HZ LYS 14 HZ1 LYS 14 70.900 -4.846 6.934 128 2HZ LYS 14 HZ2 LYS 14 69.215 -5.019 7.064 129 3HZ LYS 14 HZ3 LYS 14 69.967 -3.587 7.583 130 H MET 15 HN MET 15 69.832 1.425 5.561 131 HA MET 15 HA MET 15 70.920 3.358 7.393 132 1HB MET 15 HB2 MET 15 68.436 3.126 5.729 133 2HB MET 15 HB1 MET 15 68.493 4.362 6.970 134 1HG MET 15 HG2 MET 15 70.665 4.026 4.900 135 2HG MET 15 HG1 MET 15 69.285 5.102 4.680 136 1HE MET 15 HE1 MET 15 72.610 4.407 6.151 137 2HE MET 15 HE2 MET 15 73.135 6.005 6.674 138 3HE MET 15 HE3 MET 15 72.687 5.741 4.991 139 H LYS 16 HN LYS 16 70.015 4.075 9.360 140 HA LYS 16 HA LYS 16 69.706 2.917 11.564 141 1HB LYS 16 HB2 LYS 16 67.010 4.079 11.047 142 2HB LYS 16 HB1 LYS 16 68.121 4.361 12.379 143 1HG LYS 16 HG2 LYS 16 68.373 6.373 11.272 144 2HG LYS 16 HG1 LYS 16 69.623 5.448 10.455 145 1HD LYS 16 HD2 LYS 16 68.549 6.097 8.529 146 2HD LYS 16 HD1 LYS 16 67.401 4.815 8.918 147 1HE LYS 16 HE2 LYS 16 66.161 6.859 8.492 148 2HE LYS 16 HE1 LYS 16 66.060 6.502 10.216 149 1HZ LYS 16 HZ1 LYS 16 66.613 8.720 10.190 150 2HZ LYS 16 HZ2 LYS 16 67.627 8.575 8.834 151 3HZ LYS 16 HZ3 LYS 16 68.139 7.997 10.347 152 H GLY 17 HN GLY 17 66.571 2.595 9.882 153 1HA GLY 17 HA2 GLY 17 66.580 -0.308 10.526 154 2HA GLY 17 HA1 GLY 17 65.299 0.681 11.221 155 H LYS 18 HN LYS 18 65.989 2.089 8.298 156 HA LYS 18 HA LYS 18 63.529 1.424 7.094 157 1HB LYS 18 HB2 LYS 18 65.799 1.727 5.159 158 2HB LYS 18 HB1 LYS 18 64.244 2.552 5.212 159 1HG LYS 18 HG2 LYS 18 66.534 3.100 7.090 160 2HG LYS 18 HG1 LYS 18 66.156 4.061 5.680 161 1HD LYS 18 HD2 LYS 18 63.996 3.578 7.730 162 2HD LYS 18 HD1 LYS 18 65.225 4.783 8.049 163 1HE LYS 18 HE2 LYS 18 64.692 5.856 5.852 164 2HE LYS 18 HE1 LYS 18 63.381 4.694 5.649 165 1HZ LYS 18 HZ1 LYS 18 63.010 5.698 8.155 166 2HZ LYS 18 HZ2 LYS 18 62.142 6.142 6.764 167 3HZ LYS 18 HZ3 LYS 18 63.487 7.055 7.257 168 H ASN 19 HN ASN 19 62.734 -0.444 6.308 169 HA ASN 19 HA ASN 19 64.276 -2.855 6.237 170 1HB ASN 19 HB2 ASN 19 61.713 -2.590 6.321 171 2HB ASN 19 HB1 ASN 19 61.804 -2.350 4.580 172 1HD2 ASN 19 HD21 ASN 19 60.793 -4.383 4.019 173 2HD2 ASN 19 HD22 ASN 19 61.543 -5.876 4.316 174 H LYS 20 HN LYS 20 64.319 -0.141 4.381 175 HA LYS 20 HA LYS 20 64.875 -1.363 1.788 176 1HB LYS 20 HB2 LYS 20 64.088 1.177 2.713 177 2HB LYS 20 HB1 LYS 20 65.694 1.435 2.057 178 1HG LYS 20 HG2 LYS 20 64.295 1.756 0.199 179 2HG LYS 20 HG1 LYS 20 64.846 0.101 0.006 180 1HD LYS 20 HD2 LYS 20 62.560 -0.214 -0.300 181 2HD LYS 20 HD1 LYS 20 62.665 -0.451 1.444 182 1HE LYS 20 HE2 LYS 20 62.130 1.989 1.742 183 2HE LYS 20 HE1 LYS 20 61.874 2.097 0.001 184 1HZ LYS 20 HZ1 LYS 20 59.795 1.730 1.151 185 2HZ LYS 20 HZ2 LYS 20 60.406 0.319 1.873 186 3HZ LYS 20 HZ3 LYS 20 60.172 0.383 0.192 187 H LEU 21 HN LEU 21 66.959 -0.124 0.786 188 HA LEU 21 HA LEU 21 69.304 -0.489 2.595 189 1HB LEU 21 HB2 LEU 21 69.375 -1.490 -0.270 190 2HB LEU 21 HB1 LEU 21 70.477 -1.863 1.049 191 HG LEU 21 HG LEU 21 67.569 -2.706 1.128 192 1HD1 LEU 21 HD11 LEU 21 68.240 -4.874 0.267 193 2HD1 LEU 21 HD12 LEU 21 69.914 -4.338 0.130 194 3HD1 LEU 21 HD13 LEU 21 68.673 -3.633 -0.908 195 1HD2 LEU 21 HD21 LEU 21 68.385 -4.305 2.765 196 2HD2 LEU 21 HD22 LEU 21 68.933 -2.698 3.235 197 3HD2 LEU 21 HD23 LEU 21 70.053 -3.819 2.463 198 H VAL 22 HN VAL 22 71.196 0.727 1.761 199 HA VAL 22 HA VAL 22 70.353 2.931 -0.111 200 HB VAL 22 HB VAL 22 72.018 2.928 2.392 201 1HG1 VAL 22 HG11 VAL 22 72.153 4.890 0.091 202 2HG1 VAL 22 HG12 VAL 22 73.490 4.080 0.908 203 3HG1 VAL 22 HG13 VAL 22 72.590 5.349 1.737 204 1HG2 VAL 22 HG21 VAL 22 70.617 5.002 2.781 205 2HG2 VAL 22 HG22 VAL 22 69.708 3.493 2.719 206 3HG2 VAL 22 HG23 VAL 22 69.710 4.583 1.332 207 HA PRO 23 HA PRO 23 73.696 0.930 -2.511 208 1HB PRO 23 HB2 PRO 23 73.289 3.158 -4.397 209 2HB PRO 23 HB1 PRO 23 73.139 1.438 -4.692 210 1HG PRO 23 HG2 PRO 23 70.996 3.209 -4.525 211 2HG PRO 23 HG1 PRO 23 70.869 1.461 -4.273 212 1HD PRO 23 HD2 PRO 23 70.748 3.637 -2.268 213 2HD PRO 23 HD1 PRO 23 70.192 1.951 -2.136 214 H ARG 24 HN ARG 24 75.889 1.522 -2.821 215 HA ARG 24 HA ARG 24 76.746 4.305 -2.381 216 1HB ARG 24 HB2 ARG 24 76.448 3.166 -0.078 217 2HB ARG 24 HB1 ARG 24 77.817 2.166 -0.532 218 1HG ARG 24 HG2 ARG 24 78.907 3.898 0.579 219 2HG ARG 24 HG1 ARG 24 78.969 4.487 -1.081 220 1HD ARG 24 HD2 ARG 24 78.191 6.340 0.175 221 2HD ARG 24 HD1 ARG 24 76.730 5.666 -0.540 222 HE ARG 24 HE ARG 24 76.909 4.384 1.903 223 1HH1 ARG 24 HH21 ARG 24 76.958 7.644 0.781 224 2HH1 ARG 24 HH22 ARG 24 76.225 8.288 2.213 225 1HH2 ARG 24 HH11 ARG 24 75.950 5.206 3.778 226 2HH2 ARG 24 HH12 ARG 24 75.655 6.908 3.909 227 H LEU 25 HN LEU 25 78.941 4.606 -3.088 228 HA LEU 25 HA LEU 25 80.018 2.293 -4.664 229 1HB LEU 25 HB2 LEU 25 80.180 5.281 -5.006 230 2HB LEU 25 HB1 LEU 25 81.272 4.200 -5.862 231 HG LEU 25 HG LEU 25 78.252 3.988 -5.956 232 1HD1 LEU 25 HD11 LEU 25 80.077 5.205 -8.049 233 2HD1 LEU 25 HD12 LEU 25 79.144 6.152 -6.892 234 3HD1 LEU 25 HD13 LEU 25 78.315 5.144 -8.077 235 1HD2 LEU 25 HD21 LEU 25 78.671 2.024 -6.985 236 2HD2 LEU 25 HD22 LEU 25 80.410 2.290 -6.937 237 3HD2 LEU 25 HD23 LEU 25 79.462 2.896 -8.291 238 H LEU 26 HN LEU 26 82.135 1.661 -4.284 239 HA LEU 26 HA LEU 26 83.650 3.116 -2.142 240 1HB LEU 26 HB2 LEU 26 82.597 0.977 -1.357 241 2HB LEU 26 HB1 LEU 26 83.520 0.119 -2.583 242 HG LEU 26 HG LEU 26 85.627 1.055 -1.545 243 1HD1 LEU 26 HD11 LEU 26 84.984 2.921 -0.274 244 2HD1 LEU 26 HD12 LEU 26 85.203 1.695 0.965 245 3HD1 LEU 26 HD13 LEU 26 83.582 2.105 0.410 246 1HD2 LEU 26 HD21 LEU 26 85.013 -1.218 -1.070 247 2HD2 LEU 26 HD22 LEU 26 83.768 -0.707 0.070 248 3HD2 LEU 26 HD23 LEU 26 85.472 -0.485 0.468 249 H GLY 27 HN GLY 27 85.298 4.032 -3.223 250 1HA GLY 27 HA2 GLY 27 86.581 2.723 -5.511 251 2HA GLY 27 HA1 GLY 27 86.926 4.335 -4.918 252 H ILE 28 HN ILE 28 88.331 1.439 -5.305 253 HA ILE 28 HA ILE 28 89.874 1.508 -2.743 254 HB ILE 28 HB ILE 28 89.739 -0.575 -4.954 255 1HG1 ILE 28 HG12 ILE 28 88.796 -1.962 -3.054 256 2HG1 ILE 28 HG11 ILE 28 88.726 -0.491 -2.092 257 1HG2 ILE 28 HG21 ILE 28 91.410 -0.376 -2.444 258 2HG2 ILE 28 HG22 ILE 28 91.959 -0.639 -4.099 259 3HG2 ILE 28 HG23 ILE 28 91.091 -1.915 -3.245 260 1HD1 ILE 28 HD11 ILE 28 87.434 -0.489 -4.799 261 2HD1 ILE 28 HD12 ILE 28 87.005 0.416 -3.348 262 3HD1 ILE 28 HD13 ILE 28 86.618 -1.297 -3.464 263 H THR 29 HN THR 29 91.617 2.872 -2.909 264 HA THR 29 HA THR 29 92.943 3.199 -5.550 265 HB THR 29 HB THR 29 93.829 4.666 -3.072 266 HG1 THR 29 HG1 THR 29 91.378 4.552 -3.507 267 1HG2 THR 29 HG21 THR 29 94.991 5.043 -5.200 268 2HG2 THR 29 HG22 THR 29 94.106 6.492 -4.722 269 3HG2 THR 29 HG23 THR 29 93.460 5.438 -5.980 270 H LYS 30 HN LYS 30 95.417 3.270 -5.441 271 HA LYS 30 HA LYS 30 96.348 0.747 -4.379 272 1HB LYS 30 HB2 LYS 30 98.569 1.517 -5.253 273 2HB LYS 30 HB1 LYS 30 97.281 1.587 -6.457 274 1HG LYS 30 HG2 LYS 30 96.960 3.985 -5.988 275 2HG LYS 30 HG1 LYS 30 98.228 3.923 -4.770 276 1HD LYS 30 HD2 LYS 30 99.446 4.696 -6.596 277 2HD LYS 30 HD1 LYS 30 99.685 2.958 -6.770 278 1HE LYS 30 HE2 LYS 30 99.033 3.582 -8.932 279 2HE LYS 30 HE1 LYS 30 97.497 3.079 -8.230 280 1HZ LYS 30 HZ1 LYS 30 97.091 5.145 -9.220 281 2HZ LYS 30 HZ2 LYS 30 98.522 5.828 -8.609 282 3HZ LYS 30 HZ3 LYS 30 97.228 5.483 -7.563 283 H GLU 31 HN GLU 31 96.112 3.899 -3.097 284 HA GLU 31 HA GLU 31 97.934 3.145 -0.833 285 1HB GLU 31 HB2 GLU 31 97.548 5.849 -2.128 286 2HB GLU 31 HB1 GLU 31 98.477 5.569 -0.662 287 1HG GLU 31 HG2 GLU 31 99.354 3.720 -2.723 288 2HG GLU 31 HG1 GLU 31 99.396 5.357 -3.352 289 H CYS 32 HN CYS 32 94.760 3.659 -1.622 290 HA CYS 32 HA CYS 32 93.993 3.968 1.136 291 1HB CYS 32 HB2 CYS 32 92.790 6.303 0.485 292 2HB CYS 32 HB1 CYS 32 94.404 6.245 1.175 293 HG CYS 32 HG CYS 32 93.877 6.529 -1.895 294 H VAL 33 HN VAL 33 91.641 4.075 1.408 295 HA VAL 33 HA VAL 33 90.176 2.980 -0.970 296 HB VAL 33 HB VAL 33 89.604 2.832 2.008 297 1HG1 VAL 33 HG11 VAL 33 87.485 2.995 0.888 298 2HG1 VAL 33 HG12 VAL 33 87.740 1.287 1.243 299 3HG1 VAL 33 HG13 VAL 33 88.010 1.898 -0.389 300 1HG2 VAL 33 HG21 VAL 33 91.321 1.278 1.413 301 2HG2 VAL 33 HG22 VAL 33 90.487 0.827 -0.074 302 3HG2 VAL 33 HG23 VAL 33 89.825 0.345 1.488 303 H MET 34 HN MET 34 88.506 4.255 -1.822 304 HA MET 34 HA MET 34 88.051 6.871 -0.456 305 1HB MET 34 HB2 MET 34 87.080 6.277 -3.222 306 2HB MET 34 HB1 MET 34 87.632 7.802 -2.534 307 1HG MET 34 HG2 MET 34 89.945 6.735 -2.367 308 2HG MET 34 HG1 MET 34 89.312 5.432 -3.371 309 1HE MET 34 HE1 MET 34 91.116 8.748 -3.382 310 2HE MET 34 HE2 MET 34 89.477 9.206 -2.927 311 3HE MET 34 HE3 MET 34 90.154 9.781 -4.449 312 H ARG 35 HN ARG 35 86.035 7.567 0.184 313 HA ARG 35 HA ARG 35 83.856 5.511 0.091 314 1HB ARG 35 HB2 ARG 35 84.192 8.150 1.548 315 2HB ARG 35 HB1 ARG 35 82.638 7.334 1.466 316 1HG ARG 35 HG2 ARG 35 84.093 5.257 2.355 317 2HG ARG 35 HG1 ARG 35 85.128 6.553 2.955 318 1HD ARG 35 HD2 ARG 35 82.352 5.802 3.784 319 2HD ARG 35 HD1 ARG 35 83.688 6.397 4.765 320 HE ARG 35 HE ARG 35 83.007 8.577 3.206 321 1HH1 ARG 35 HH21 ARG 35 81.366 6.368 5.284 322 2HH1 ARG 35 HH22 ARG 35 80.172 7.520 5.783 323 1HH2 ARG 35 HH11 ARG 35 81.456 10.090 3.847 324 2HH2 ARG 35 HH12 ARG 35 80.224 9.625 4.971 325 H VAL 36 HN VAL 36 82.287 5.724 -1.482 326 HA VAL 36 HA VAL 36 81.940 8.411 -2.737 327 HB VAL 36 HB VAL 36 82.208 5.797 -4.231 328 1HG1 VAL 36 HG11 VAL 36 82.070 8.658 -5.237 329 2HG1 VAL 36 HG12 VAL 36 80.721 7.526 -5.287 330 3HG1 VAL 36 HG13 VAL 36 82.174 7.206 -6.231 331 1HG2 VAL 36 HG21 VAL 36 84.339 6.774 -5.043 332 2HG2 VAL 36 HG22 VAL 36 84.353 6.509 -3.299 333 3HG2 VAL 36 HG23 VAL 36 84.110 8.131 -3.944 334 H ASP 37 HN ASP 37 79.868 8.987 -2.810 335 HA ASP 37 HA ASP 37 77.762 7.145 -2.024 336 1HB ASP 37 HB2 ASP 37 77.822 10.007 -3.006 337 2HB ASP 37 HB1 ASP 37 76.296 9.161 -2.760 338 H GLU 38 HN GLU 38 76.099 6.348 -3.385 339 HA GLU 38 HA GLU 38 76.922 5.977 -6.198 340 1HB GLU 38 HB2 GLU 38 75.979 4.180 -4.577 341 2HB GLU 38 HB1 GLU 38 74.429 4.940 -4.879 342 1HG GLU 38 HG2 GLU 38 76.228 3.951 -7.098 343 2HG GLU 38 HG1 GLU 38 74.972 2.960 -6.357 344 H LYS 39 HN LYS 39 74.895 7.806 -4.246 345 HA LYS 39 HA LYS 39 72.890 8.549 -6.180 346 1HB LYS 39 HB2 LYS 39 72.583 8.618 -3.714 347 2HB LYS 39 HB1 LYS 39 73.771 9.910 -3.637 348 1HG LYS 39 HG2 LYS 39 72.345 11.287 -5.142 349 2HG LYS 39 HG1 LYS 39 71.130 10.008 -5.121 350 1HD LYS 39 HD2 LYS 39 70.836 10.252 -2.725 351 2HD LYS 39 HD1 LYS 39 72.168 11.406 -2.643 352 1HE LYS 39 HE2 LYS 39 69.830 12.425 -2.669 353 2HE LYS 39 HE1 LYS 39 70.949 13.048 -3.880 354 1HZ LYS 39 HZ1 LYS 39 68.792 12.541 -4.842 355 2HZ LYS 39 HZ2 LYS 39 68.921 10.926 -4.332 356 3HZ LYS 39 HZ3 LYS 39 69.992 11.540 -5.499 357 H THR 40 HN THR 40 75.646 10.266 -4.720 358 HA THR 40 HA THR 40 75.541 12.268 -6.924 359 HB THR 40 HB THR 40 77.283 13.427 -5.436 360 HG1 THR 40 HG1 THR 40 77.389 11.209 -4.272 361 1HG2 THR 40 HG21 THR 40 74.548 12.886 -4.252 362 2HG2 THR 40 HG22 THR 40 74.874 14.039 -5.546 363 3HG2 THR 40 HG23 THR 40 75.563 14.295 -3.942 364 H LYS 41 HN LYS 41 77.160 9.368 -6.237 365 HA LYS 41 HA LYS 41 79.184 8.476 -7.074 366 1HB LYS 41 HB2 LYS 41 78.703 10.542 -9.236 367 2HB LYS 41 HB1 LYS 41 79.663 9.070 -9.386 368 1HG LYS 41 HG2 LYS 41 77.631 7.722 -8.894 369 2HG LYS 41 HG1 LYS 41 76.684 9.209 -8.843 370 1HD LYS 41 HD2 LYS 41 78.249 8.191 -11.235 371 2HD LYS 41 HD1 LYS 41 76.498 8.130 -11.049 372 1HE LYS 41 HE2 LYS 41 76.757 10.740 -10.659 373 2HE LYS 41 HE1 LYS 41 78.266 10.506 -11.541 374 1HZ LYS 41 HZ1 LYS 41 75.517 10.269 -12.464 375 2HZ LYS 41 HZ2 LYS 41 76.616 9.130 -13.080 376 3HZ LYS 41 HZ3 LYS 41 76.900 10.792 -13.294 377 H GLU 42 HN GLU 42 79.186 11.033 -5.378 378 HA GLU 42 HA GLU 42 81.783 12.218 -6.254 379 1HB GLU 42 HB2 GLU 42 79.667 13.589 -5.533 380 2HB GLU 42 HB1 GLU 42 80.165 13.176 -3.901 381 1HG GLU 42 HG2 GLU 42 82.302 14.228 -4.202 382 2HG GLU 42 HG1 GLU 42 81.995 14.483 -5.914 383 H VAL 43 HN VAL 43 83.392 12.608 -4.492 384 HA VAL 43 HA VAL 43 83.714 10.166 -2.863 385 HB VAL 43 HB VAL 43 85.499 12.558 -3.389 386 1HG1 VAL 43 HG11 VAL 43 85.876 10.198 -1.533 387 2HG1 VAL 43 HG12 VAL 43 86.032 11.912 -1.151 388 3HG1 VAL 43 HG13 VAL 43 87.236 11.124 -2.169 389 1HG2 VAL 43 HG21 VAL 43 85.886 9.626 -4.033 390 2HG2 VAL 43 HG22 VAL 43 86.834 10.986 -4.627 391 3HG2 VAL 43 HG23 VAL 43 85.166 10.775 -5.161 392 H ILE 44 HN ILE 44 83.069 10.069 -0.775 393 HA ILE 44 HA ILE 44 82.379 12.603 0.624 394 HB ILE 44 HB ILE 44 81.734 9.792 1.508 395 1HG1 ILE 44 HG12 ILE 44 80.806 10.016 -0.717 396 2HG1 ILE 44 HG11 ILE 44 79.490 10.225 0.436 397 1HG2 ILE 44 HG21 ILE 44 80.339 12.427 2.031 398 2HG2 ILE 44 HG22 ILE 44 81.544 11.730 3.111 399 3HG2 ILE 44 HG23 ILE 44 80.026 10.881 2.819 400 1HD1 ILE 44 HD11 ILE 44 79.191 11.984 -1.118 401 2HD1 ILE 44 HD12 ILE 44 80.917 12.334 -1.184 402 3HD1 ILE 44 HD13 ILE 44 79.986 12.756 0.252 403 H GLN 45 HN GLN 45 84.597 9.894 0.749 404 HA GLN 45 HA GLN 45 86.236 11.256 2.700 405 1HB GLN 45 HB2 GLN 45 84.422 10.407 4.195 406 2HB GLN 45 HB1 GLN 45 84.814 8.768 3.685 407 1HG GLN 45 HG2 GLN 45 86.935 8.809 4.708 408 2HG GLN 45 HG1 GLN 45 86.943 10.572 4.828 409 1HE2 GLN 45 HE21 GLN 45 87.271 10.464 7.171 410 2HE2 GLN 45 HE22 GLN 45 86.011 10.006 8.209 411 H GLU 46 HN GLU 46 88.098 9.871 3.342 412 HA GLU 46 HA GLU 46 88.646 7.601 1.533 413 1HB GLU 46 HB2 GLU 46 90.187 10.175 1.750 414 2HB GLU 46 HB1 GLU 46 91.023 8.687 1.304 415 1HG GLU 46 HG2 GLU 46 89.772 8.430 -0.675 416 2HG GLU 46 HG1 GLU 46 88.510 9.540 -0.137 417 H TRP 47 HN TRP 47 90.536 6.327 2.229 418 HA TRP 47 HA TRP 47 91.301 6.700 5.083 419 1HB TRP 47 HB2 TRP 47 90.181 4.181 3.836 420 2HB TRP 47 HB1 TRP 47 91.027 4.202 5.375 421 HD1 TRP 47 HD1 TRP 47 89.866 6.583 6.876 422 HE1 TRP 47 HE1 TRP 47 87.377 6.718 7.515 423 HE3 TRP 47 HE3 TRP 47 87.885 3.302 3.490 424 HZ2 TRP 47 HZ2 TRP 47 84.893 5.589 6.724 425 HZ3 TRP 47 HZ3 TRP 47 85.451 2.851 3.462 426 HH2 TRP 47 HH2 TRP 47 83.951 3.989 5.074 427 H SER 48 HN SER 48 93.347 5.700 5.589 428 HA SER 48 HA SER 48 95.096 5.449 3.239 429 1HB SER 48 HB2 SER 48 95.619 6.556 5.572 430 2HB SER 48 HB1 SER 48 96.027 4.912 6.037 431 HG SER 48 HG SER 48 97.658 6.450 4.951 432 H LEU 49 HN LEU 49 95.938 3.520 2.461 433 HA LEU 49 HA LEU 49 94.621 1.074 3.156 434 1HB LEU 49 HB2 LEU 49 96.788 1.936 1.325 435 2HB LEU 49 HB1 LEU 49 96.960 0.273 1.876 436 HG LEU 49 HG LEU 49 94.305 1.274 0.843 437 1HD1 LEU 49 HD11 LEU 49 96.702 0.358 -0.753 438 2HD1 LEU 49 HD12 LEU 49 95.713 1.794 -0.997 439 3HD1 LEU 49 HD13 LEU 49 95.058 0.203 -1.373 440 1HD2 LEU 49 HD21 LEU 49 94.738 -0.991 2.073 441 2HD2 LEU 49 HD22 LEU 49 95.507 -1.482 0.566 442 3HD2 LEU 49 HD23 LEU 49 93.807 -1.017 0.576 443 H THR 50 HN THR 50 97.457 2.680 4.382 444 HA THR 50 HA THR 50 98.509 0.323 5.737 445 HB THR 50 HB THR 50 100.030 1.981 6.836 446 HG1 THR 50 HG1 THR 50 99.440 4.054 5.272 447 1HG2 THR 50 HG21 THR 50 101.212 2.601 4.781 448 2HG2 THR 50 HG22 THR 50 99.756 2.299 3.834 449 3HG2 THR 50 HG23 THR 50 100.576 0.963 4.640 450 H ASN 51 HN ASN 51 95.896 2.351 6.306 451 HA ASN 51 HA ASN 51 96.094 2.268 9.260 452 1HB ASN 51 HB2 ASN 51 94.103 3.449 7.315 453 2HB ASN 51 HB1 ASN 51 93.757 3.350 9.041 454 1HD2 ASN 51 HD21 ASN 51 97.098 3.776 8.107 455 2HD2 ASN 51 HD22 ASN 51 97.215 5.414 8.538 456 H ILE 52 HN ILE 52 94.313 0.709 6.633 457 HA ILE 52 HA ILE 52 92.323 -0.604 8.144 458 HB ILE 52 HB ILE 52 93.840 -1.680 5.747 459 1HG1 ILE 52 HG12 ILE 52 91.212 -0.164 5.861 460 2HG1 ILE 52 HG11 ILE 52 92.758 0.586 5.466 461 1HG2 ILE 52 HG21 ILE 52 91.653 -2.926 5.409 462 2HG2 ILE 52 HG22 ILE 52 91.202 -2.421 7.038 463 3HG2 ILE 52 HG23 ILE 52 92.607 -3.459 6.793 464 1HD1 ILE 52 HD11 ILE 52 92.998 -1.156 3.625 465 2HD1 ILE 52 HD12 ILE 52 91.728 0.040 3.373 466 3HD1 ILE 52 HD13 ILE 52 91.314 -1.582 3.927 467 H LYS 53 HN LYS 53 92.460 -2.124 9.712 468 HA LYS 53 HA LYS 53 95.091 -3.355 10.293 469 1HB LYS 53 HB2 LYS 53 93.886 -2.369 12.166 470 2HB LYS 53 HB1 LYS 53 92.464 -3.349 11.808 471 1HG LYS 53 HG2 LYS 53 93.596 -5.373 12.391 472 2HG LYS 53 HG1 LYS 53 95.162 -4.562 12.437 473 1HD LYS 53 HD2 LYS 53 94.451 -3.234 14.368 474 2HD LYS 53 HD1 LYS 53 92.846 -3.962 14.302 475 1HE LYS 53 HE2 LYS 53 93.833 -6.186 14.715 476 2HE LYS 53 HE1 LYS 53 95.439 -5.460 14.786 477 1HZ LYS 53 HZ1 LYS 53 94.261 -5.848 16.974 478 2HZ LYS 53 HZ2 LYS 53 93.232 -4.566 16.542 479 3HZ LYS 53 HZ3 LYS 53 94.900 -4.296 16.724 480 H ARG 54 HN ARG 54 91.707 -4.431 9.781 481 HA ARG 54 HA ARG 54 92.715 -6.880 8.469 482 1HB ARG 54 HB2 ARG 54 91.248 -8.316 9.951 483 2HB ARG 54 HB1 ARG 54 92.664 -7.648 10.761 484 1HG ARG 54 HG2 ARG 54 91.404 -6.084 11.973 485 2HG ARG 54 HG1 ARG 54 90.063 -6.123 10.834 486 1HD ARG 54 HD2 ARG 54 89.227 -8.139 11.682 487 2HD ARG 54 HD1 ARG 54 90.769 -8.592 12.412 488 HE ARG 54 HE ARG 54 89.997 -6.235 13.713 489 1HH1 ARG 54 HH21 ARG 54 88.696 -9.374 13.122 490 2HH1 ARG 54 HH22 ARG 54 87.755 -9.404 14.576 491 1HH2 ARG 54 HH11 ARG 54 88.772 -6.256 15.614 492 2HH2 ARG 54 HH12 ARG 54 87.799 -7.639 15.986 493 H TRP 55 HN TRP 55 90.653 -8.264 7.876 494 HA TRP 55 HA TRP 55 88.205 -6.708 7.555 495 1HB TRP 55 HB2 TRP 55 88.209 -6.932 5.044 496 2HB TRP 55 HB1 TRP 55 89.408 -5.797 5.662 497 HD1 TRP 55 HD1 TRP 55 89.144 -9.454 4.477 498 HE1 TRP 55 HE1 TRP 55 91.424 -10.157 3.497 499 HE3 TRP 55 HE3 TRP 55 91.869 -5.257 5.480 500 HZ2 TRP 55 HZ2 TRP 55 94.048 -9.078 3.170 501 HZ3 TRP 55 HZ3 TRP 55 94.253 -5.119 4.821 502 HH2 TRP 55 HH2 TRP 55 95.344 -7.026 3.666 503 H ALA 56 HN ALA 56 86.577 -8.035 6.249 504 HA ALA 56 HA ALA 56 87.146 -10.946 6.242 505 1HB ALA 56 HB1 ALA 56 84.905 -11.250 7.523 506 2HB ALA 56 HB2 ALA 56 85.137 -9.580 8.042 507 3HB ALA 56 HB3 ALA 56 86.333 -10.808 8.460 508 H ALA 57 HN ALA 57 86.362 -11.626 4.301 509 HA ALA 57 HA ALA 57 84.215 -10.033 2.981 510 1HB ALA 57 HB1 ALA 57 84.883 -11.433 0.973 511 2HB ALA 57 HB2 ALA 57 86.196 -12.075 1.960 512 3HB ALA 57 HB3 ALA 57 86.130 -10.354 1.590 513 H SER 58 HN SER 58 82.198 -10.759 3.359 514 HA SER 58 HA SER 58 81.746 -13.644 3.821 515 1HB SER 58 HB2 SER 58 80.441 -11.169 4.631 516 2HB SER 58 HB1 SER 58 79.270 -12.284 3.933 517 HG SER 58 HG SER 58 80.339 -12.352 6.333 518 HA PRO 59 HA PRO 59 80.247 -14.436 -0.232 519 1HB PRO 59 HB2 PRO 59 77.706 -15.596 0.379 520 2HB PRO 59 HB1 PRO 59 79.237 -16.457 0.166 521 1HG PRO 59 HG2 PRO 59 77.799 -15.820 2.673 522 2HG PRO 59 HG1 PRO 59 79.071 -17.020 2.391 523 1HD PRO 59 HD2 PRO 59 79.403 -14.586 3.763 524 2HD PRO 59 HD1 PRO 59 80.717 -15.580 3.102 525 H LYS 60 HN LYS 60 78.893 -12.122 1.730 526 HA LYS 60 HA LYS 60 77.331 -10.998 -0.519 527 1HB LYS 60 HB2 LYS 60 75.341 -10.685 0.887 528 2HB LYS 60 HB1 LYS 60 75.735 -12.392 0.724 529 1HG LYS 60 HG2 LYS 60 77.122 -12.008 2.929 530 2HG LYS 60 HG1 LYS 60 76.079 -10.601 3.106 531 1HD LYS 60 HD2 LYS 60 74.116 -12.211 2.720 532 2HD LYS 60 HD1 LYS 60 75.288 -13.506 2.973 533 1HE LYS 60 HE2 LYS 60 75.908 -12.323 5.156 534 2HE LYS 60 HE1 LYS 60 74.453 -11.353 4.924 535 1HZ LYS 60 HZ1 LYS 60 73.094 -13.221 5.078 536 2HZ LYS 60 HZ2 LYS 60 74.249 -13.460 6.301 537 3HZ LYS 60 HZ3 LYS 60 74.375 -14.305 4.832 538 H SER 61 HN SER 61 79.008 -10.607 2.498 539 HA SER 61 HA SER 61 78.761 -7.621 2.212 540 1HB SER 61 HB2 SER 61 79.009 -7.620 4.768 541 2HB SER 61 HB1 SER 61 77.458 -8.136 4.114 542 HG SER 61 HG SER 61 77.799 -10.047 4.909 543 H PHE 62 HN PHE 62 80.521 -6.423 3.238 544 HA PHE 62 HA PHE 62 83.120 -7.898 3.388 545 1HB PHE 62 HB2 PHE 62 82.937 -6.812 1.166 546 2HB PHE 62 HB1 PHE 62 82.605 -5.273 1.945 547 HD1 PHE 62 HD1 PHE 62 85.161 -8.025 2.353 548 HD2 PHE 62 HD2 PHE 62 84.426 -3.809 1.961 549 HE1 PHE 62 HE1 PHE 62 87.586 -7.586 2.532 550 HE2 PHE 62 HE2 PHE 62 86.863 -3.381 2.126 551 HZ PHE 62 HZ PHE 62 88.440 -5.266 2.415 552 H THR 63 HN THR 63 84.460 -7.132 5.062 553 HA THR 63 HA THR 63 83.519 -4.702 6.563 554 HB THR 63 HB THR 63 84.215 -7.442 7.652 555 HG1 THR 63 HG1 THR 63 82.158 -7.324 8.452 556 1HG2 THR 63 HG21 THR 63 83.746 -6.233 9.900 557 2HG2 THR 63 HG22 THR 63 84.117 -4.754 9.014 558 3HG2 THR 63 HG23 THR 63 85.335 -6.024 9.163 559 H LEU 64 HN LEU 64 85.170 -3.467 7.468 560 HA LEU 64 HA LEU 64 87.975 -4.455 7.215 561 1HB LEU 64 HB2 LEU 64 88.530 -2.012 6.493 562 2HB LEU 64 HB1 LEU 64 87.952 -3.145 5.278 563 HG LEU 64 HG LEU 64 85.872 -1.570 6.759 564 1HD1 LEU 64 HD11 LEU 64 86.134 0.382 5.339 565 2HD1 LEU 64 HD12 LEU 64 87.485 -0.368 4.489 566 3HD1 LEU 64 HD13 LEU 64 87.654 0.094 6.180 567 1HD2 LEU 64 HD21 LEU 64 86.032 -1.998 3.779 568 2HD2 LEU 64 HD22 LEU 64 84.610 -1.891 4.808 569 3HD2 LEU 64 HD23 LEU 64 85.596 -3.348 4.823 570 H ASP 65 HN ASP 65 89.443 -3.321 8.677 571 HA ASP 65 HA ASP 65 88.052 -1.802 10.871 572 1HB ASP 65 HB2 ASP 65 88.523 -4.200 11.489 573 2HB ASP 65 HB1 ASP 65 90.240 -3.850 11.284 574 H PHE 66 HN PHE 66 89.112 0.016 11.543 575 HA PHE 66 HA PHE 66 91.784 0.604 10.326 576 1HB PHE 66 HB2 PHE 66 89.866 2.486 11.735 577 2HB PHE 66 HB1 PHE 66 91.308 2.937 10.834 578 HD1 PHE 66 HD1 PHE 66 91.398 1.976 8.345 579 HD2 PHE 66 HD2 PHE 66 87.808 2.595 10.624 580 HE1 PHE 66 HE1 PHE 66 90.076 2.063 6.248 581 HE2 PHE 66 HE2 PHE 66 86.491 2.681 8.529 582 HZ PHE 66 HZ PHE 66 87.624 2.415 6.345 583 H GLY 67 HN GLY 67 90.328 -0.439 13.161 584 1HA GLY 67 HA2 GLY 67 91.646 -1.073 15.108 585 2HA GLY 67 HA1 GLY 67 92.761 0.250 14.755 586 H ASP 68 HN ASP 68 90.100 1.819 14.141 587 HA ASP 68 HA ASP 68 89.966 3.069 16.763 588 1HB ASP 68 HB2 ASP 68 87.971 3.556 14.568 589 2HB ASP 68 HB1 ASP 68 88.619 4.694 15.743 590 H TYR 69 HN TYR 69 89.095 1.685 18.289 591 HA TYR 69 HA TYR 69 87.187 -0.273 18.098 592 1HB TYR 69 HB2 TYR 69 88.264 0.216 20.205 593 2HB TYR 69 HB1 TYR 69 87.481 1.794 20.288 594 HD1 TYR 69 HD1 TYR 69 85.217 2.032 21.025 595 HD2 TYR 69 HD2 TYR 69 86.895 -1.866 20.382 596 HE1 TYR 69 HE1 TYR 69 83.254 1.003 22.145 597 HE2 TYR 69 HE2 TYR 69 84.935 -2.898 21.501 598 HH TYR 69 HH TYR 69 82.710 -2.436 22.101 599 H GLN 70 HN GLN 70 86.586 3.158 17.779 600 HA GLN 70 HA GLN 70 83.671 2.814 18.062 601 1HB GLN 70 HB2 GLN 70 83.590 5.253 17.606 602 2HB GLN 70 HB1 GLN 70 84.659 4.846 18.938 603 1HG GLN 70 HG2 GLN 70 86.478 4.777 16.978 604 2HG GLN 70 HG1 GLN 70 85.333 5.873 16.214 605 1HE2 GLN 70 HE21 GLN 70 84.416 7.460 18.250 606 2HE2 GLN 70 HE22 GLN 70 85.696 8.276 19.010 607 H ASP 71 HN ASP 71 85.621 4.311 15.441 608 HA ASP 71 HA ASP 71 83.513 3.504 13.517 609 1HB ASP 71 HB2 ASP 71 84.514 5.862 13.697 610 2HB ASP 71 HB1 ASP 71 85.943 5.180 12.934 611 H GLY 72 HN GLY 72 86.371 2.328 14.688 612 1HA GLY 72 HA2 GLY 72 87.992 1.476 12.670 613 2HA GLY 72 HA1 GLY 72 87.593 0.426 14.013 614 H TYR 73 HN TYR 73 85.385 -0.676 13.738 615 HA TYR 73 HA TYR 73 85.493 -2.181 11.290 616 1HB TYR 73 HB2 TYR 73 83.108 -2.216 13.107 617 2HB TYR 73 HB1 TYR 73 83.837 -3.543 12.210 618 HD1 TYR 73 HD1 TYR 73 86.633 -3.485 12.819 619 HD2 TYR 73 HD2 TYR 73 83.319 -2.601 15.406 620 HE1 TYR 73 HE1 TYR 73 88.012 -4.074 14.794 621 HE2 TYR 73 HE2 TYR 73 84.701 -3.187 17.378 622 HH TYR 73 HH TYR 73 87.863 -3.295 17.437 623 H TYR 74 HN TYR 74 84.724 -1.602 9.409 624 HA TYR 74 HA TYR 74 82.197 -0.038 9.209 625 1HB TYR 74 HB2 TYR 74 84.093 1.491 8.780 626 2HB TYR 74 HB1 TYR 74 84.723 0.365 7.583 627 HD1 TYR 74 HD1 TYR 74 81.912 2.657 8.369 628 HD2 TYR 74 HD2 TYR 74 83.799 0.222 5.378 629 HE1 TYR 74 HE1 TYR 74 80.482 3.688 6.626 630 HE2 TYR 74 HE2 TYR 74 82.369 1.250 3.634 631 HH TYR 74 HH TYR 74 81.023 3.101 3.220 632 H SER 75 HN SER 75 80.889 -1.627 8.378 633 HA SER 75 HA SER 75 81.896 -3.205 6.043 634 1HB SER 75 HB2 SER 75 80.814 -5.129 6.851 635 2HB SER 75 HB1 SER 75 81.542 -4.428 8.292 636 HG SER 75 HG SER 75 79.262 -5.050 8.445 637 H VAL 76 HN VAL 76 80.291 -3.899 4.545 638 HA VAL 76 HA VAL 76 77.635 -2.616 4.605 639 HB VAL 76 HB VAL 76 77.997 -1.595 2.339 640 1HG1 VAL 76 HG11 VAL 76 80.000 -0.528 4.344 641 2HG1 VAL 76 HG12 VAL 76 78.259 -0.353 4.566 642 3HG1 VAL 76 HG13 VAL 76 79.048 0.382 3.170 643 1HG2 VAL 76 HG21 VAL 76 80.877 -2.338 2.953 644 2HG2 VAL 76 HG22 VAL 76 80.385 -1.254 1.655 645 3HG2 VAL 76 HG23 VAL 76 79.897 -2.948 1.620 646 H GLN 77 HN GLN 77 76.441 -3.327 2.473 647 HA GLN 77 HA GLN 77 76.828 -6.203 2.236 648 1HB GLN 77 HB2 GLN 77 74.903 -4.239 0.969 649 2HB GLN 77 HB1 GLN 77 74.907 -5.952 0.564 650 1HG GLN 77 HG2 GLN 77 74.654 -6.444 3.033 651 2HG GLN 77 HG1 GLN 77 74.414 -4.716 3.284 652 1HE2 GLN 77 HE21 GLN 77 72.744 -3.898 1.309 653 2HE2 GLN 77 HE22 GLN 77 71.301 -4.791 1.292 654 H THR 78 HN THR 78 77.939 -7.243 0.648 655 HA THR 78 HA THR 78 78.512 -5.862 -1.916 656 HB THR 78 HB THR 78 80.868 -6.238 -1.806 657 HG1 THR 78 HG1 THR 78 80.249 -8.226 -0.333 658 1HG2 THR 78 HG21 THR 78 80.254 -5.333 1.005 659 2HG2 THR 78 HG22 THR 78 79.857 -4.327 -0.386 660 3HG2 THR 78 HG23 THR 78 81.530 -4.775 -0.076 661 H THR 79 HN THR 79 78.078 -7.282 -3.497 662 HA THR 79 HA THR 79 77.591 -10.090 -2.933 663 HB THR 79 HB THR 79 77.899 -8.708 -5.612 664 HG1 THR 79 HG1 THR 79 75.395 -9.119 -5.102 665 1HG2 THR 79 HG21 THR 79 76.539 -11.282 -4.774 666 2HG2 THR 79 HG22 THR 79 77.999 -11.143 -5.753 667 3HG2 THR 79 HG23 THR 79 76.454 -10.578 -6.388 668 H GLU 80 HN GLU 80 80.292 -8.184 -3.878 669 HA GLU 80 HA GLU 80 81.915 -10.650 -4.376 670 1HB GLU 80 HB2 GLU 80 82.433 -7.908 -5.546 671 2HB GLU 80 HB1 GLU 80 83.240 -9.419 -5.959 672 1HG GLU 80 HG2 GLU 80 80.954 -10.297 -6.666 673 2HG GLU 80 HG1 GLU 80 80.378 -8.640 -6.530 674 H GLY 81 HN GLY 81 81.450 -9.412 -1.825 675 1HA GLY 81 HA2 GLY 81 83.399 -7.585 -0.971 676 2HA GLY 81 HA1 GLY 81 82.746 -8.859 0.059 677 H GLU 82 HN GLU 82 83.883 -10.660 -2.294 678 HA GLU 82 HA GLU 82 86.361 -11.289 -0.882 679 1HB GLU 82 HB2 GLU 82 85.205 -13.177 -1.736 680 2HB GLU 82 HB1 GLU 82 84.938 -12.410 -3.295 681 1HG GLU 82 HG2 GLU 82 87.165 -12.706 -3.967 682 2HG GLU 82 HG1 GLU 82 87.722 -12.983 -2.324 683 H GLN 83 HN GLN 83 85.619 -10.388 -4.246 684 HA GLN 83 HA GLN 83 88.255 -9.915 -5.104 685 1HB GLN 83 HB2 GLN 83 85.862 -8.266 -5.923 686 2HB GLN 83 HB1 GLN 83 87.314 -8.554 -6.864 687 1HG GLN 83 HG2 GLN 83 86.757 -10.852 -7.180 688 2HG GLN 83 HG1 GLN 83 85.485 -10.775 -5.974 689 1HE2 GLN 83 HE21 GLN 83 83.775 -11.337 -7.404 690 2HE2 GLN 83 HE22 GLN 83 83.251 -10.308 -8.647 691 H ILE 84 HN ILE 84 85.957 -7.717 -3.573 692 HA ILE 84 HA ILE 84 87.569 -5.390 -3.541 693 HB ILE 84 HB ILE 84 85.713 -6.327 -1.328 694 1HG1 ILE 84 HG12 ILE 84 85.141 -4.843 -3.914 695 2HG1 ILE 84 HG11 ILE 84 84.553 -6.445 -3.470 696 1HG2 ILE 84 HG21 ILE 84 85.490 -3.987 -0.797 697 2HG2 ILE 84 HG22 ILE 84 86.392 -3.517 -2.237 698 3HG2 ILE 84 HG23 ILE 84 87.216 -4.325 -0.904 699 1HD1 ILE 84 HD11 ILE 84 83.489 -5.288 -1.424 700 2HD1 ILE 84 HD12 ILE 84 82.738 -5.000 -2.993 701 3HD1 ILE 84 HD13 ILE 84 83.791 -3.777 -2.282 702 H ALA 85 HN ALA 85 87.639 -8.311 -1.614 703 HA ALA 85 HA ALA 85 89.655 -7.251 0.255 704 1HB ALA 85 HB1 ALA 85 87.830 -9.041 0.735 705 2HB ALA 85 HB2 ALA 85 89.444 -9.303 1.390 706 3HB ALA 85 HB3 ALA 85 88.928 -10.164 -0.061 707 H GLN 86 HN GLN 86 89.512 -9.129 -2.700 708 HA GLN 86 HA GLN 86 92.294 -10.012 -2.516 709 1HB GLN 86 HB2 GLN 86 90.354 -11.168 -3.769 710 2HB GLN 86 HB1 GLN 86 90.617 -9.960 -5.015 711 1HG GLN 86 HG2 GLN 86 93.074 -10.664 -4.955 712 2HG GLN 86 HG1 GLN 86 92.536 -12.054 -4.024 713 1HE2 GLN 86 HE21 GLN 86 93.483 -13.120 -6.126 714 2HE2 GLN 86 HE22 GLN 86 92.378 -13.372 -7.385 715 H LEU 87 HN LEU 87 90.449 -7.509 -4.150 716 HA LEU 87 HA LEU 87 92.653 -6.460 -5.671 717 1HB LEU 87 HB2 LEU 87 90.337 -5.940 -6.293 718 2HB LEU 87 HB1 LEU 87 90.068 -5.174 -4.729 719 HG LEU 87 HG LEU 87 91.709 -3.447 -5.247 720 1HD1 LEU 87 HD11 LEU 87 93.370 -4.433 -6.583 721 2HD1 LEU 87 HD12 LEU 87 92.498 -3.468 -7.773 722 3HD1 LEU 87 HD13 LEU 87 92.199 -5.201 -7.655 723 1HD2 LEU 87 HD21 LEU 87 89.491 -2.917 -5.965 724 2HD2 LEU 87 HD22 LEU 87 89.614 -3.983 -7.365 725 3HD2 LEU 87 HD23 LEU 87 90.542 -2.483 -7.314 726 H ILE 88 HN ILE 88 91.246 -5.857 -2.528 727 HA ILE 88 HA ILE 88 92.938 -3.624 -1.825 728 HB ILE 88 HB ILE 88 91.212 -5.572 -0.283 729 1HG1 ILE 88 HG12 ILE 88 90.343 -3.551 -1.732 730 2HG1 ILE 88 HG11 ILE 88 89.653 -3.836 -0.139 731 1HG2 ILE 88 HG21 ILE 88 92.911 -5.106 1.310 732 2HG2 ILE 88 HG22 ILE 88 91.611 -3.980 1.699 733 3HG2 ILE 88 HG23 ILE 88 93.030 -3.417 0.814 734 1HD1 ILE 88 HD11 ILE 88 90.303 -1.425 -0.671 735 2HD1 ILE 88 HD12 ILE 88 91.979 -1.949 -0.560 736 3HD1 ILE 88 HD13 ILE 88 90.920 -2.076 0.843 737 H ALA 89 HN ALA 89 92.926 -7.063 -0.889 738 HA ALA 89 HA ALA 89 95.365 -7.059 0.562 739 1HB ALA 89 HB1 ALA 89 94.275 -9.330 -1.125 740 2HB ALA 89 HB2 ALA 89 93.710 -8.945 0.501 741 3HB ALA 89 HB3 ALA 89 95.375 -9.466 0.247 742 H GLY 90 HN GLY 90 94.767 -6.720 -2.794 743 1HA GLY 90 HA2 GLY 90 97.418 -7.687 -3.628 744 2HA GLY 90 HA1 GLY 90 96.192 -6.984 -4.678 745 H TYR 91 HN TYR 91 95.892 -4.583 -2.879 746 HA TYR 91 HA TYR 91 98.143 -3.083 -4.043 747 1HB TYR 91 HB2 TYR 91 95.658 -2.299 -2.516 748 2HB TYR 91 HB1 TYR 91 96.928 -1.127 -2.838 749 HD1 TYR 91 HD1 TYR 91 93.869 -2.179 -3.999 750 HD2 TYR 91 HD2 TYR 91 97.830 -1.376 -5.479 751 HE1 TYR 91 HE1 TYR 91 92.951 -1.762 -6.258 752 HE2 TYR 91 HE2 TYR 91 96.902 -0.986 -7.737 753 HH TYR 91 HH TYR 91 93.808 -0.335 -8.364 754 H ILE 92 HN ILE 92 97.421 -4.583 -1.044 755 HA ILE 92 HA ILE 92 99.085 -2.783 0.559 756 HB ILE 92 HB ILE 92 97.926 -5.498 1.224 757 1HG1 ILE 92 HG12 ILE 92 96.949 -2.714 1.940 758 2HG1 ILE 92 HG11 ILE 92 96.286 -3.679 0.621 759 1HG2 ILE 92 HG21 ILE 92 98.249 -4.553 3.592 760 2HG2 ILE 92 HG22 ILE 92 99.295 -3.343 2.852 761 3HG2 ILE 92 HG23 ILE 92 99.712 -5.054 2.745 762 1HD1 ILE 92 HD11 ILE 92 95.081 -3.779 2.916 763 2HD1 ILE 92 HD12 ILE 92 96.433 -4.789 3.425 764 3HD1 ILE 92 HD13 ILE 92 95.404 -5.300 2.089 765 H ASP 93 HN ASP 93 99.507 -5.795 -1.180 766 HA ASP 93 HA ASP 93 102.087 -6.382 0.093 767 1HB ASP 93 HB2 ASP 93 100.529 -7.629 -2.178 768 2HB ASP 93 HB1 ASP 93 102.142 -8.177 -1.727 769 H ILE 94 HN ILE 94 100.946 -4.573 -2.614 770 HA ILE 94 HA ILE 94 103.513 -4.667 -4.052 771 HB ILE 94 HB ILE 94 101.031 -3.000 -4.530 772 1HG1 ILE 94 HG12 ILE 94 101.991 -5.467 -6.002 773 2HG1 ILE 94 HG11 ILE 94 100.833 -5.542 -4.674 774 1HG2 ILE 94 HG21 ILE 94 102.095 -2.894 -6.865 775 2HG2 ILE 94 HG22 ILE 94 103.578 -3.457 -6.095 776 3HG2 ILE 94 HG23 ILE 94 102.861 -1.920 -5.610 777 1HD1 ILE 94 HD11 ILE 94 100.503 -4.046 -7.288 778 2HD1 ILE 94 HD12 ILE 94 99.386 -3.918 -5.930 779 3HD1 ILE 94 HD13 ILE 94 99.596 -5.461 -6.757 780 H ILE 95 HN ILE 95 101.952 -2.668 -1.689 781 HA ILE 95 HA ILE 95 103.697 -0.350 -2.195 782 HB ILE 95 HB ILE 95 102.660 0.486 -0.041 783 1HG1 ILE 95 HG12 ILE 95 101.048 -2.066 -0.348 784 2HG1 ILE 95 HG11 ILE 95 102.182 -1.719 0.953 785 1HG2 ILE 95 HG21 ILE 95 100.514 0.952 -1.080 786 2HG2 ILE 95 HG22 ILE 95 100.698 -0.431 -2.159 787 3HG2 ILE 95 HG23 ILE 95 101.760 0.965 -2.327 788 1HD1 ILE 95 HD11 ILE 95 99.511 -0.441 0.404 789 2HD1 ILE 95 HD12 ILE 95 100.728 0.402 1.362 790 3HD1 ILE 95 HD13 ILE 95 100.104 -1.157 1.902 791 H LEU 96 HN LEU 96 103.486 -3.085 -0.031 792 HA LEU 96 HA LEU 96 105.632 -2.189 1.720 793 1HB LEU 96 HB2 LEU 96 103.939 -4.630 1.374 794 2HB LEU 96 HB1 LEU 96 105.455 -4.832 2.254 795 HG LEU 96 HG LEU 96 103.605 -2.557 2.983 796 1HD1 LEU 96 HD11 LEU 96 102.062 -4.353 3.104 797 2HD1 LEU 96 HD12 LEU 96 102.677 -4.193 4.749 798 3HD1 LEU 96 HD13 LEU 96 103.286 -5.473 3.699 799 1HD2 LEU 96 HD21 LEU 96 105.973 -2.870 3.914 800 2HD2 LEU 96 HD22 LEU 96 105.359 -4.307 4.729 801 3HD2 LEU 96 HD23 LEU 96 104.691 -2.722 5.114 802 H LYS 97 HN LYS 97 105.422 -3.857 -1.294 803 HA LYS 97 HA LYS 97 107.955 -5.237 -1.163 804 1HB LYS 97 HB2 LYS 97 106.072 -5.758 -2.761 805 2HB LYS 97 HB1 LYS 97 106.493 -4.283 -3.625 806 1HG LYS 97 HG2 LYS 97 108.925 -5.330 -3.651 807 2HG LYS 97 HG1 LYS 97 108.060 -6.837 -3.372 808 1HD LYS 97 HD2 LYS 97 106.715 -6.482 -5.378 809 2HD LYS 97 HD1 LYS 97 107.488 -4.919 -5.635 810 1HE LYS 97 HE2 LYS 97 109.674 -6.032 -5.890 811 2HE LYS 97 HE1 LYS 97 108.907 -7.598 -5.629 812 1HZ LYS 97 HZ1 LYS 97 108.672 -7.609 -7.835 813 2HZ LYS 97 HZ2 LYS 97 108.946 -5.939 -7.982 814 3HZ LYS 97 HZ3 LYS 97 107.398 -6.517 -7.586 815 H LYS 98 HN LYS 98 106.967 -2.278 -2.917 816 HA LYS 98 HA LYS 98 109.455 -1.494 -3.890 817 1HB LYS 98 HB2 LYS 98 107.303 0.302 -2.734 818 2HB LYS 98 HB1 LYS 98 108.582 0.808 -3.838 819 1HG LYS 98 HG2 LYS 98 107.692 -0.436 -5.638 820 2HG LYS 98 HG1 LYS 98 106.705 -1.439 -4.577 821 1HD LYS 98 HD2 LYS 98 105.281 0.182 -5.722 822 2HD LYS 98 HD1 LYS 98 105.340 0.555 -3.999 823 1HE LYS 98 HE2 LYS 98 105.610 2.557 -5.534 824 2HE LYS 98 HE1 LYS 98 106.906 2.345 -4.358 825 1HZ LYS 98 HZ1 LYS 98 107.176 1.066 -6.980 826 2HZ LYS 98 HZ2 LYS 98 108.376 1.689 -5.951 827 3HZ LYS 98 HZ3 LYS 98 107.419 2.741 -6.880 828 H LYS 99 HN LYS 99 108.149 -1.056 -0.625 829 HA LYS 99 HA LYS 99 110.171 0.647 0.389 830 1HB LYS 99 HB2 LYS 99 108.538 -1.490 1.761 831 2HB LYS 99 HB1 LYS 99 109.564 -0.344 2.620 832 1HG LYS 99 HG2 LYS 99 108.284 1.513 1.470 833 2HG LYS 99 HG1 LYS 99 107.163 0.285 0.889 834 1HD LYS 99 HD2 LYS 99 106.561 -0.337 3.142 835 2HD LYS 99 HD1 LYS 99 107.828 0.690 3.815 836 1HE LYS 99 HE2 LYS 99 105.715 1.867 4.009 837 2HE LYS 99 HE1 LYS 99 106.686 2.672 2.777 838 1HZ LYS 99 HZ1 LYS 99 104.153 1.808 2.438 839 2HZ LYS 99 HZ2 LYS 99 105.050 0.535 1.759 840 3HZ LYS 99 HZ3 LYS 99 105.249 2.121 1.182 841 H LYS 100 HN LYS 100 110.150 -2.818 -0.183 842 HA LYS 100 HA LYS 100 112.552 -3.366 1.342 843 1HB LYS 100 HB2 LYS 100 111.222 -4.905 -0.909 844 2HB LYS 100 HB1 LYS 100 112.551 -5.518 0.075 845 1HG LYS 100 HG2 LYS 100 111.098 -5.065 2.113 846 2HG LYS 100 HG1 LYS 100 109.763 -4.784 0.994 847 1HD LYS 100 HD2 LYS 100 110.136 -7.052 0.031 848 2HD LYS 100 HD1 LYS 100 111.391 -7.330 1.239 849 1HE LYS 100 HE2 LYS 100 109.762 -7.047 3.043 850 2HE LYS 100 HE1 LYS 100 108.499 -6.672 1.871 851 1HZ LYS 100 HZ1 LYS 100 108.794 -8.875 0.913 852 2HZ LYS 100 HZ2 LYS 100 108.385 -8.976 2.558 853 3HZ LYS 100 HZ3 LYS 100 109.989 -9.234 2.061 854 1H SER 1 HT1 SER 1 88.104 -16.155 12.649 855 2H SER 1 HT2 SER 1 88.553 -17.588 11.854 856 3H SER 1 HT3 SER 1 87.046 -17.481 12.632 857 HA SER 1 HA SER 1 87.470 -17.061 9.995 858 1HB SER 1 HB2 SER 1 85.177 -16.298 9.982 859 2HB SER 1 HB1 SER 1 85.327 -17.510 11.250 860 HG SER 1 HG SER 1 85.416 -14.685 11.564 861 H TRP 2 HN TRP 2 89.334 -15.559 9.862 862 HA TRP 2 HA TRP 2 88.462 -12.848 9.321 863 1HB TRP 2 HB2 TRP 2 89.936 -13.471 11.868 864 2HB TRP 2 HB1 TRP 2 90.340 -11.979 11.026 865 HD1 TRP 2 HD1 TRP 2 87.878 -13.423 13.371 866 HE1 TRP 2 HE1 TRP 2 85.950 -11.757 13.780 867 HE3 TRP 2 HE3 TRP 2 88.803 -10.084 9.632 868 HZ2 TRP 2 HZ2 TRP 2 84.942 -9.318 12.662 869 HZ3 TRP 2 HZ3 TRP 2 87.355 -8.096 9.327 870 HH2 TRP 2 HH2 TRP 2 85.433 -7.710 10.837 871 H VAL 3 HN VAL 3 90.636 -11.480 8.974 872 HA VAL 3 HA VAL 3 92.894 -13.082 8.033 873 HB VAL 3 HB VAL 3 91.609 -13.299 6.053 874 1HG1 VAL 3 HG11 VAL 3 90.422 -11.379 5.034 875 2HG1 VAL 3 HG12 VAL 3 90.916 -10.377 6.397 876 3HG1 VAL 3 HG13 VAL 3 89.826 -11.743 6.654 877 1HG2 VAL 3 HG21 VAL 3 93.981 -12.185 5.886 878 2HG2 VAL 3 HG22 VAL 3 93.079 -10.740 5.417 879 3HG2 VAL 3 HG23 VAL 3 92.946 -12.213 4.456 880 1HN PTR 4 HN PTR 4 94.758 -11.859 8.125 881 HA PTR 4 HA PTR 4 94.432 -8.968 8.877 882 1HB PTR 4 HB1 PTR 4 96.798 -9.393 9.877 883 2HB PTR 4 HB2 PTR 4 96.404 -11.102 9.698 884 HD1 PTR 4 HD1 PTR 4 93.835 -11.640 10.511 885 HD2 PTR 4 HD2 PTR 4 96.347 -8.470 11.977 886 HE1 PTR 4 HE1 PTR 4 92.518 -11.561 12.604 887 HE2 PTR 4 HE2 PTR 4 95.023 -8.396 14.071 888 H SER 5 HN SER 5 96.496 -7.687 8.355 889 HA SER 5 HA SER 5 97.314 -8.298 5.545 890 1HB SER 5 HB2 SER 5 97.840 -5.810 5.517 891 2HB SER 5 HB1 SER 5 96.136 -6.208 5.698 892 HG SER 5 HG SER 5 96.634 -6.090 8.046 893 HA PRO 6 HA PRO 6 101.490 -8.846 6.978 894 1HB PRO 6 HB2 PRO 6 102.809 -7.447 4.851 895 2HB PRO 6 HB1 PRO 6 102.511 -9.186 4.954 896 1HG PRO 6 HG2 PRO 6 101.143 -7.191 3.281 897 2HG PRO 6 HG1 PRO 6 101.070 -8.957 3.181 898 1HD PRO 6 HD2 PRO 6 99.013 -7.256 4.150 899 2HD PRO 6 HD1 PRO 6 99.085 -9.021 4.322 900 H LEU 7 HN LEU 7 100.098 -5.746 6.377 901 HA LEU 7 HA LEU 7 102.159 -3.963 7.027 902 1HB LEU 7 HB2 LEU 7 99.253 -3.810 7.883 903 2HB LEU 7 HB1 LEU 7 100.379 -2.457 7.864 904 HG LEU 7 HG LEU 7 99.954 -4.040 5.331 905 1HD1 LEU 7 HD11 LEU 7 98.124 -1.880 6.417 906 2HD1 LEU 7 HD12 LEU 7 97.683 -3.538 6.018 907 3HD1 LEU 7 HD13 LEU 7 98.134 -2.413 4.736 908 1HD2 LEU 7 HD21 LEU 7 101.714 -2.219 5.577 909 2HD2 LEU 7 HD22 LEU 7 100.392 -1.071 5.790 910 3HD2 LEU 7 HD23 LEU 7 100.559 -1.955 4.273 911 H HIS 8 HN HIS 8 101.821 -2.648 9.324 912 HA HIS 8 HA HIS 8 103.147 -4.089 11.297 913 1HB HIS 8 HB2 HIS 8 101.169 -1.813 11.540 914 2HB HIS 8 HB1 HIS 8 102.062 -2.442 12.923 915 HD1 HIS 8 HD1 HIS 8 104.696 -2.197 12.853 916 HD2 HIS 8 HD2 HIS 8 102.679 -0.203 9.797 917 HE1 HIS 8 HE1 HIS 8 106.364 -0.594 11.821 Start of MODEL 4 1 1H LEU 1 HT1 LEU 1 87.626 14.604 -11.358 2 2H LEU 1 HT2 LEU 1 88.018 12.953 -11.445 3 3H LEU 1 HT3 LEU 1 88.916 14.091 -12.332 4 HA LEU 1 HA LEU 1 90.322 13.761 -10.592 5 1HB LEU 1 HB2 LEU 1 89.040 16.175 -10.700 6 2HB LEU 1 HB1 LEU 1 88.681 15.721 -9.040 7 HG LEU 1 HG LEU 1 91.237 15.205 -8.861 8 1HD1 LEU 1 HD11 LEU 1 91.872 15.352 -11.189 9 2HD1 LEU 1 HD12 LEU 1 92.570 16.746 -10.371 10 3HD1 LEU 1 HD13 LEU 1 91.120 16.938 -11.350 11 1HD2 LEU 1 HD21 LEU 1 90.314 18.077 -9.202 12 2HD2 LEU 1 HD22 LEU 1 91.696 17.533 -8.252 13 3HD2 LEU 1 HD23 LEU 1 90.060 17.109 -7.751 14 H LYS 2 HN LYS 2 90.642 13.224 -8.260 15 HA LYS 2 HA LYS 2 90.211 11.672 -6.553 16 1HB LYS 2 HB2 LYS 2 87.733 13.390 -6.678 17 2HB LYS 2 HB1 LYS 2 87.913 12.123 -5.464 18 1HG LYS 2 HG2 LYS 2 88.690 14.361 -4.667 19 2HG LYS 2 HG1 LYS 2 89.952 13.136 -4.626 20 1HD LYS 2 HD2 LYS 2 91.027 14.010 -6.540 21 2HD LYS 2 HD1 LYS 2 89.611 14.950 -7.011 22 1HE LYS 2 HE2 LYS 2 91.514 16.278 -5.952 23 2HE LYS 2 HE1 LYS 2 89.927 16.499 -5.215 24 1HZ LYS 2 HZ1 LYS 2 92.230 14.948 -4.218 25 2HZ LYS 2 HZ2 LYS 2 90.655 14.589 -3.691 26 3HZ LYS 2 HZ3 LYS 2 91.315 16.131 -3.417 27 H THR 3 HN THR 3 89.279 11.102 -9.443 28 HA THR 3 HA THR 3 88.055 8.523 -8.828 29 HB THR 3 HB THR 3 86.478 10.423 -10.580 30 HG1 THR 3 HG1 THR 3 86.080 9.707 -7.866 31 1HG2 THR 3 HG21 THR 3 86.312 7.872 -10.808 32 2HG2 THR 3 HG22 THR 3 84.802 8.745 -10.549 33 3HG2 THR 3 HG23 THR 3 85.569 7.894 -9.209 34 H TYR 4 HN TYR 4 90.416 8.699 -9.913 35 HA TYR 4 HA TYR 4 90.012 8.194 -12.844 36 1HB TYR 4 HB2 TYR 4 91.160 10.424 -12.241 37 2HB TYR 4 HB1 TYR 4 92.515 9.440 -11.699 38 HD1 TYR 4 HD1 TYR 4 90.906 10.935 -14.523 39 HD2 TYR 4 HD2 TYR 4 93.472 7.702 -13.356 40 HE1 TYR 4 HE1 TYR 4 91.683 10.711 -16.869 41 HE2 TYR 4 HE2 TYR 4 94.255 7.475 -15.699 42 HH TYR 4 HH TYR 4 93.165 9.728 -18.225 43 H GLY 5 HN GLY 5 90.324 6.026 -13.031 44 1HA GLY 5 HA2 GLY 5 91.556 4.010 -13.037 45 2HA GLY 5 HA1 GLY 5 92.882 4.870 -12.255 46 H VAL 6 HN VAL 6 89.515 4.491 -11.193 47 HA VAL 6 HA VAL 6 90.491 3.001 -8.776 48 HB VAL 6 HB VAL 6 88.251 5.039 -8.765 49 1HG1 VAL 6 HG11 VAL 6 88.225 3.345 -6.980 50 2HG1 VAL 6 HG12 VAL 6 88.630 4.931 -6.326 51 3HG1 VAL 6 HG13 VAL 6 89.898 3.733 -6.579 52 1HG2 VAL 6 HG21 VAL 6 89.995 6.460 -7.541 53 2HG2 VAL 6 HG22 VAL 6 90.207 6.311 -9.285 54 3HG2 VAL 6 HG23 VAL 6 91.205 5.353 -8.191 55 H SER 7 HN SER 7 89.200 1.263 -8.173 56 HA SER 7 HA SER 7 87.013 0.547 -10.064 57 1HB SER 7 HB2 SER 7 88.915 -1.042 -9.447 58 2HB SER 7 HB1 SER 7 88.153 -1.179 -7.869 59 HG SER 7 HG SER 7 87.563 -2.553 -9.969 60 H PHE 8 HN PHE 8 85.127 1.388 -9.432 61 HA PHE 8 HA PHE 8 84.399 1.648 -6.581 62 1HB PHE 8 HB2 PHE 8 82.135 2.249 -8.210 63 2HB PHE 8 HB1 PHE 8 83.221 3.402 -7.442 64 HD1 PHE 8 HD1 PHE 8 85.277 4.184 -8.684 65 HD2 PHE 8 HD2 PHE 8 82.165 1.900 -10.570 66 HE1 PHE 8 HE1 PHE 8 86.105 4.896 -10.911 67 HE2 PHE 8 HE2 PHE 8 82.993 2.612 -12.797 68 HZ PHE 8 HZ PHE 8 84.963 4.110 -12.967 69 H PHE 9 HN PHE 9 83.458 -0.016 -5.518 70 HA PHE 9 HA PHE 9 82.097 -2.178 -7.082 71 1HB PHE 9 HB2 PHE 9 83.434 -2.041 -4.380 72 2HB PHE 9 HB1 PHE 9 82.225 -3.288 -4.684 73 HD1 PHE 9 HD1 PHE 9 85.369 -1.816 -6.088 74 HD2 PHE 9 HD2 PHE 9 82.818 -5.262 -5.824 75 HE1 PHE 9 HE1 PHE 9 87.069 -3.169 -7.282 76 HE2 PHE 9 HE2 PHE 9 84.521 -6.616 -7.017 77 HZ PHE 9 HZ PHE 9 86.646 -5.567 -7.748 78 H LEU 10 HN LEU 10 79.888 -2.380 -6.902 79 HA LEU 10 HA LEU 10 78.433 -0.353 -5.397 80 1HB LEU 10 HB2 LEU 10 77.557 -1.124 -7.535 81 2HB LEU 10 HB1 LEU 10 77.473 -2.777 -6.943 82 HG LEU 10 HG LEU 10 76.023 -0.974 -5.120 83 1HD1 LEU 10 HD11 LEU 10 75.746 0.312 -7.274 84 2HD1 LEU 10 HD12 LEU 10 74.239 -0.260 -6.560 85 3HD1 LEU 10 HD13 LEU 10 74.937 -1.104 -7.943 86 1HD2 LEU 10 HD21 LEU 10 74.155 -2.570 -5.659 87 2HD2 LEU 10 HD22 LEU 10 75.634 -3.373 -5.136 88 3HD2 LEU 10 HD23 LEU 10 75.208 -3.338 -6.846 89 H VAL 11 HN VAL 11 78.504 -0.567 -3.245 90 HA VAL 11 HA VAL 11 77.793 -3.221 -2.036 91 HB VAL 11 HB VAL 11 78.950 -2.502 -0.041 92 1HG1 VAL 11 HG11 VAL 11 81.176 -2.560 -0.829 93 2HG1 VAL 11 HG12 VAL 11 80.790 -1.614 -2.267 94 3HG1 VAL 11 HG13 VAL 11 80.268 -3.293 -2.152 95 1HG2 VAL 11 HG21 VAL 11 79.076 0.154 -1.469 96 2HG2 VAL 11 HG22 VAL 11 80.190 -0.230 -0.160 97 3HG2 VAL 11 HG23 VAL 11 78.454 -0.199 0.142 98 H LYS 12 HN LYS 12 76.261 -3.041 -0.187 99 HA LYS 12 HA LYS 12 74.490 -0.627 -0.479 100 1HB LYS 12 HB2 LYS 12 73.935 -3.527 -0.409 101 2HB LYS 12 HB1 LYS 12 72.915 -2.601 0.689 102 1HG LYS 12 HG2 LYS 12 72.113 -1.205 -1.092 103 2HG LYS 12 HG1 LYS 12 73.303 -1.866 -2.226 104 1HD LYS 12 HD2 LYS 12 72.247 -4.080 -2.052 105 2HD LYS 12 HD1 LYS 12 71.083 -3.436 -0.897 106 1HE LYS 12 HE2 LYS 12 71.413 -2.552 -3.768 107 2HE LYS 12 HE1 LYS 12 70.074 -3.496 -3.123 108 1HZ LYS 12 HZ1 LYS 12 70.709 -0.659 -2.737 109 2HZ LYS 12 HZ2 LYS 12 69.912 -1.489 -1.487 110 3HZ LYS 12 HZ3 LYS 12 69.212 -1.399 -3.032 111 H GLU 13 HN GLU 13 73.446 0.128 1.397 112 HA GLU 13 HA GLU 13 74.786 -0.610 3.978 113 1HB GLU 13 HB2 GLU 13 74.127 2.102 2.824 114 2HB GLU 13 HB1 GLU 13 74.312 1.875 4.557 115 1HG GLU 13 HG2 GLU 13 76.456 2.548 3.783 116 2HG GLU 13 HG1 GLU 13 76.584 0.812 4.022 117 H LYS 14 HN LYS 14 73.385 -0.150 5.842 118 HA LYS 14 HA LYS 14 70.573 -0.778 5.206 119 1HB LYS 14 HB2 LYS 14 70.363 -1.609 7.391 120 2HB LYS 14 HB1 LYS 14 71.992 -2.067 6.926 121 1HG LYS 14 HG2 LYS 14 71.229 0.301 8.676 122 2HG LYS 14 HG1 LYS 14 71.967 -1.192 9.215 123 1HD LYS 14 HD2 LYS 14 73.259 0.762 7.279 124 2HD LYS 14 HD1 LYS 14 73.628 0.638 8.992 125 1HE LYS 14 HE2 LYS 14 74.196 -1.371 6.813 126 2HE LYS 14 HE1 LYS 14 75.310 -0.657 7.973 127 1HZ LYS 14 HZ1 LYS 14 73.646 -1.825 9.639 128 2HZ LYS 14 HZ2 LYS 14 74.984 -2.635 8.977 129 3HZ LYS 14 HZ3 LYS 14 73.436 -2.861 8.313 130 H MET 15 HN MET 15 69.016 0.667 5.316 131 HA MET 15 HA MET 15 69.509 3.422 5.961 132 1HB MET 15 HB2 MET 15 67.025 1.841 5.334 133 2HB MET 15 HB1 MET 15 66.959 3.553 5.726 134 1HG MET 15 HG2 MET 15 68.556 4.016 3.905 135 2HG MET 15 HG1 MET 15 68.536 2.306 3.470 136 1HE MET 15 HE1 MET 15 67.005 5.708 2.644 137 2HE MET 15 HE2 MET 15 66.494 5.347 4.291 138 3HE MET 15 HE3 MET 15 65.290 5.471 3.011 139 H LYS 16 HN LYS 16 68.503 4.630 7.648 140 HA LYS 16 HA LYS 16 68.873 4.068 10.231 141 1HB LYS 16 HB2 LYS 16 66.146 5.187 9.806 142 2HB LYS 16 HB1 LYS 16 67.487 5.827 10.751 143 1HG LYS 16 HG2 LYS 16 67.384 7.345 8.979 144 2HG LYS 16 HG1 LYS 16 68.611 6.217 8.413 145 1HD LYS 16 HD2 LYS 16 67.292 6.132 6.518 146 2HD LYS 16 HD1 LYS 16 66.352 4.977 7.461 147 1HE LYS 16 HE2 LYS 16 64.913 6.728 6.460 148 2HE LYS 16 HE1 LYS 16 64.864 6.778 8.222 149 1HZ LYS 16 HZ1 LYS 16 66.285 8.628 8.268 150 2HZ LYS 16 HZ2 LYS 16 65.158 8.971 7.044 151 3HZ LYS 16 HZ3 LYS 16 66.724 8.451 6.639 152 H GLY 17 HN GLY 17 65.569 3.455 9.023 153 1HA GLY 17 HA2 GLY 17 65.497 0.952 10.668 154 2HA GLY 17 HA1 GLY 17 64.202 2.141 10.793 155 H LYS 18 HN LYS 18 64.879 2.504 7.691 156 HA LYS 18 HA LYS 18 62.631 0.956 6.798 157 1HB LYS 18 HB2 LYS 18 64.788 1.691 4.831 158 2HB LYS 18 HB1 LYS 18 63.041 1.771 4.659 159 1HG LYS 18 HG2 LYS 18 64.735 3.597 6.349 160 2HG LYS 18 HG1 LYS 18 63.956 4.023 4.838 161 1HD LYS 18 HD2 LYS 18 62.554 3.229 7.413 162 2HD LYS 18 HD1 LYS 18 62.625 4.840 6.720 163 1HE LYS 18 HE2 LYS 18 61.576 3.692 4.601 164 2HE LYS 18 HE1 LYS 18 61.094 2.446 5.754 165 1HZ LYS 18 HZ1 LYS 18 59.874 4.895 5.289 166 2HZ LYS 18 HZ2 LYS 18 60.565 4.988 6.838 167 3HZ LYS 18 HZ3 LYS 18 59.471 3.743 6.466 168 H ASN 19 HN ASN 19 62.512 -1.186 6.300 169 HA ASN 19 HA ASN 19 64.693 -2.971 6.720 170 1HB ASN 19 HB2 ASN 19 62.095 -3.190 5.213 171 2HB ASN 19 HB1 ASN 19 63.249 -4.519 5.212 172 1HD2 ASN 19 HD21 ASN 19 62.911 -2.413 8.034 173 2HD2 ASN 19 HD22 ASN 19 62.179 -3.573 9.034 174 H LYS 20 HN LYS 20 64.149 -0.701 4.367 175 HA LYS 20 HA LYS 20 65.167 -1.982 2.022 176 1HB LYS 20 HB2 LYS 20 64.051 0.485 2.671 177 2HB LYS 20 HB1 LYS 20 65.686 0.909 2.201 178 1HG LYS 20 HG2 LYS 20 64.514 0.977 0.168 179 2HG LYS 20 HG1 LYS 20 65.263 -0.611 0.146 180 1HD LYS 20 HD2 LYS 20 63.082 -1.188 -0.428 181 2HD LYS 20 HD1 LYS 20 62.998 -1.357 1.324 182 1HE LYS 20 HE2 LYS 20 62.171 1.031 1.430 183 2HE LYS 20 HE1 LYS 20 62.087 1.018 -0.330 184 1HZ LYS 20 HZ1 LYS 20 60.603 -0.908 -0.178 185 2HZ LYS 20 HZ2 LYS 20 59.957 0.459 0.598 186 3HZ LYS 20 HZ3 LYS 20 60.636 -0.801 1.514 187 H LEU 21 HN LEU 21 67.192 -0.668 1.029 188 HA LEU 21 HA LEU 21 69.460 -0.643 2.969 189 1HB LEU 21 HB2 LEU 21 69.626 -2.023 0.266 190 2HB LEU 21 HB1 LEU 21 70.839 -2.016 1.538 191 HG LEU 21 HG LEU 21 68.087 -3.202 1.957 192 1HD1 LEU 21 HD11 LEU 21 69.083 -5.397 1.499 193 2HD1 LEU 21 HD12 LEU 21 70.605 -4.623 1.064 194 3HD1 LEU 21 HD13 LEU 21 69.170 -4.363 0.074 195 1HD2 LEU 21 HD21 LEU 21 69.297 -2.734 4.006 196 2HD2 LEU 21 HD22 LEU 21 70.761 -3.466 3.361 197 3HD2 LEU 21 HD23 LEU 21 69.361 -4.471 3.724 198 H VAL 22 HN VAL 22 71.317 0.629 2.082 199 HA VAL 22 HA VAL 22 70.379 2.564 -0.028 200 HB VAL 22 HB VAL 22 71.931 2.833 2.501 201 1HG1 VAL 22 HG11 VAL 22 73.704 3.627 1.128 202 2HG1 VAL 22 HG12 VAL 22 72.832 5.090 1.569 203 3HG1 VAL 22 HG13 VAL 22 72.596 4.369 -0.023 204 1HG2 VAL 22 HG21 VAL 22 70.360 5.009 1.130 205 2HG2 VAL 22 HG22 VAL 22 70.528 4.667 2.851 206 3HG2 VAL 22 HG23 VAL 22 69.499 3.650 1.845 207 HA PRO 23 HA PRO 23 73.670 0.432 -2.382 208 1HB PRO 23 HB2 PRO 23 73.131 2.461 -4.448 209 2HB PRO 23 HB1 PRO 23 73.009 0.721 -4.574 210 1HG PRO 23 HG2 PRO 23 70.833 2.454 -4.482 211 2HG PRO 23 HG1 PRO 23 70.760 0.737 -4.056 212 1HD PRO 23 HD2 PRO 23 70.679 3.098 -2.265 213 2HD PRO 23 HD1 PRO 23 70.157 1.425 -1.952 214 H ARG 24 HN ARG 24 75.837 1.023 -2.789 215 HA ARG 24 HA ARG 24 76.670 3.853 -2.642 216 1HB ARG 24 HB2 ARG 24 76.434 2.972 -0.249 217 2HB ARG 24 HB1 ARG 24 77.749 1.872 -0.624 218 1HG ARG 24 HG2 ARG 24 78.983 3.631 0.241 219 2HG ARG 24 HG1 ARG 24 78.938 4.129 -1.449 220 1HD ARG 24 HD2 ARG 24 78.266 6.078 -0.325 221 2HD ARG 24 HD1 ARG 24 76.718 5.345 -0.756 222 HE ARG 24 HE ARG 24 77.256 4.296 1.744 223 1HH1 ARG 24 HH21 ARG 24 77.132 7.444 0.337 224 2HH1 ARG 24 HH22 ARG 24 76.623 8.221 1.799 225 1HH2 ARG 24 HH11 ARG 24 76.591 5.294 3.658 226 2HH2 ARG 24 HH12 ARG 24 76.313 7.004 3.677 227 H LEU 25 HN LEU 25 78.817 4.095 -3.532 228 HA LEU 25 HA LEU 25 79.906 1.597 -4.785 229 1HB LEU 25 HB2 LEU 25 80.169 4.499 -5.572 230 2HB LEU 25 HB1 LEU 25 81.044 3.200 -6.365 231 HG LEU 25 HG LEU 25 78.033 3.083 -6.131 232 1HD1 LEU 25 HD11 LEU 25 77.774 4.285 -8.210 233 2HD1 LEU 25 HD12 LEU 25 79.517 4.399 -8.426 234 3HD1 LEU 25 HD13 LEU 25 78.729 5.315 -7.145 235 1HD2 LEU 25 HD21 LEU 25 79.543 1.148 -6.972 236 2HD2 LEU 25 HD22 LEU 25 79.809 2.146 -8.396 237 3HD2 LEU 25 HD23 LEU 25 78.182 1.610 -7.987 238 H LEU 26 HN LEU 26 82.057 1.061 -4.375 239 HA LEU 26 HA LEU 26 83.535 2.812 -2.437 240 1HB LEU 26 HB2 LEU 26 82.608 0.673 -1.476 241 2HB LEU 26 HB1 LEU 26 83.630 -0.209 -2.605 242 HG LEU 26 HG LEU 26 85.623 0.986 -1.637 243 1HD1 LEU 26 HD11 LEU 26 85.052 1.848 0.807 244 2HD1 LEU 26 HD12 LEU 26 83.462 2.144 0.105 245 3HD1 LEU 26 HD13 LEU 26 84.889 2.922 -0.576 246 1HD2 LEU 26 HD21 LEU 26 84.895 -1.304 -0.939 247 2HD2 LEU 26 HD22 LEU 26 83.973 -0.572 0.375 248 3HD2 LEU 26 HD23 LEU 26 85.731 -0.428 0.343 249 H GLY 27 HN GLY 27 85.120 3.725 -3.598 250 1HA GLY 27 HA2 GLY 27 86.440 2.372 -5.817 251 2HA GLY 27 HA1 GLY 27 86.774 3.996 -5.255 252 H ILE 28 HN ILE 28 88.177 1.080 -5.586 253 HA ILE 28 HA ILE 28 89.763 1.225 -3.052 254 HB ILE 28 HB ILE 28 89.590 -0.906 -5.218 255 1HG1 ILE 28 HG12 ILE 28 88.687 -2.283 -3.354 256 2HG1 ILE 28 HG11 ILE 28 88.755 -0.876 -2.298 257 1HG2 ILE 28 HG21 ILE 28 91.352 -0.654 -2.773 258 2HG2 ILE 28 HG22 ILE 28 91.847 -0.929 -4.442 259 3HG2 ILE 28 HG23 ILE 28 91.026 -2.205 -3.546 260 1HD1 ILE 28 HD11 ILE 28 87.274 -0.635 -4.895 261 2HD1 ILE 28 HD12 ILE 28 86.982 0.171 -3.354 262 3HD1 ILE 28 HD13 ILE 28 86.518 -1.514 -3.566 263 H THR 29 HN THR 29 91.499 2.600 -3.286 264 HA THR 29 HA THR 29 92.781 2.859 -5.960 265 HB THR 29 HB THR 29 93.684 4.420 -3.545 266 HG1 THR 29 HG1 THR 29 91.960 5.805 -3.786 267 1HG2 THR 29 HG21 THR 29 94.826 4.812 -5.656 268 2HG2 THR 29 HG22 THR 29 93.832 6.218 -5.282 269 3HG2 THR 29 HG23 THR 29 93.289 5.052 -6.486 270 H LYS 30 HN LYS 30 95.311 3.094 -5.741 271 HA LYS 30 HA LYS 30 96.262 0.565 -4.633 272 1HB LYS 30 HB2 LYS 30 98.517 1.577 -5.519 273 2HB LYS 30 HB1 LYS 30 97.285 1.083 -6.681 274 1HG LYS 30 HG2 LYS 30 96.551 3.304 -7.029 275 2HG LYS 30 HG1 LYS 30 97.375 3.897 -5.587 276 1HD LYS 30 HD2 LYS 30 99.556 3.437 -6.634 277 2HD LYS 30 HD1 LYS 30 98.740 2.828 -8.076 278 1HE LYS 30 HE2 LYS 30 99.229 5.059 -8.644 279 2HE LYS 30 HE1 LYS 30 97.550 5.144 -8.109 280 1HZ LYS 30 HZ1 LYS 30 99.267 5.397 -5.889 281 2HZ LYS 30 HZ2 LYS 30 98.139 6.514 -6.494 282 3HZ LYS 30 HZ3 LYS 30 99.735 6.514 -7.076 283 H GLU 31 HN GLU 31 95.805 3.627 -3.373 284 HA GLU 31 HA GLU 31 97.690 3.048 -1.134 285 1HB GLU 31 HB2 GLU 31 97.390 5.694 -2.573 286 2HB GLU 31 HB1 GLU 31 98.314 5.453 -1.094 287 1HG GLU 31 HG2 GLU 31 99.566 3.625 -2.415 288 2HG GLU 31 HG1 GLU 31 98.856 4.362 -3.842 289 H CYS 32 HN CYS 32 94.558 3.535 -2.007 290 HA CYS 32 HA CYS 32 93.741 4.052 0.703 291 1HB CYS 32 HB2 CYS 32 92.544 6.325 -0.153 292 2HB CYS 32 HB1 CYS 32 94.145 6.332 0.568 293 HG CYS 32 HG CYS 32 95.057 7.101 -1.593 294 H VAL 33 HN VAL 33 91.388 4.172 0.921 295 HA VAL 33 HA VAL 33 89.961 2.924 -1.407 296 HB VAL 33 HB VAL 33 89.161 2.992 1.525 297 1HG1 VAL 33 HG11 VAL 33 88.124 1.330 -0.788 298 2HG1 VAL 33 HG12 VAL 33 87.312 2.753 -0.134 299 3HG1 VAL 33 HG13 VAL 33 87.517 1.316 0.867 300 1HG2 VAL 33 HG21 VAL 33 90.416 0.765 -0.110 301 2HG2 VAL 33 HG22 VAL 33 89.853 0.622 1.555 302 3HG2 VAL 33 HG23 VAL 33 91.219 1.671 1.173 303 H MET 34 HN MET 34 88.309 4.141 -2.340 304 HA MET 34 HA MET 34 87.808 6.820 -1.124 305 1HB MET 34 HB2 MET 34 86.767 6.157 -3.835 306 2HB MET 34 HB1 MET 34 87.509 7.642 -3.248 307 1HG MET 34 HG2 MET 34 88.906 5.063 -3.997 308 2HG MET 34 HG1 MET 34 89.058 6.630 -4.783 309 1HE MET 34 HE1 MET 34 91.400 7.431 -4.623 310 2HE MET 34 HE2 MET 34 91.854 8.294 -3.156 311 3HE MET 34 HE3 MET 34 90.302 8.628 -3.922 312 H ARG 35 HN ARG 35 85.805 7.433 -0.410 313 HA ARG 35 HA ARG 35 83.676 5.328 -0.468 314 1HB ARG 35 HB2 ARG 35 83.929 7.976 0.992 315 2HB ARG 35 HB1 ARG 35 82.469 6.998 1.025 316 1HG ARG 35 HG2 ARG 35 84.232 5.088 1.761 317 2HG ARG 35 HG1 ARG 35 85.132 6.499 2.319 318 1HD ARG 35 HD2 ARG 35 82.506 5.416 3.283 319 2HD ARG 35 HD1 ARG 35 83.853 6.071 4.213 320 HE ARG 35 HE ARG 35 82.869 8.249 2.780 321 1HH1 ARG 35 HH21 ARG 35 81.622 5.865 4.939 322 2HH1 ARG 35 HH22 ARG 35 80.390 6.900 5.581 323 1HH2 ARG 35 HH11 ARG 35 81.268 9.613 3.606 324 2HH2 ARG 35 HH12 ARG 35 80.192 9.023 4.828 325 H VAL 36 HN VAL 36 82.164 5.469 -2.066 326 HA VAL 36 HA VAL 36 81.611 8.160 -3.249 327 HB VAL 36 HB VAL 36 81.911 5.587 -4.794 328 1HG1 VAL 36 HG11 VAL 36 81.805 7.003 -6.754 329 2HG1 VAL 36 HG12 VAL 36 81.812 8.456 -5.756 330 3HG1 VAL 36 HG13 VAL 36 80.413 7.382 -5.741 331 1HG2 VAL 36 HG21 VAL 36 84.104 6.054 -4.087 332 2HG2 VAL 36 HG22 VAL 36 83.866 7.795 -4.189 333 3HG2 VAL 36 HG23 VAL 36 84.012 6.839 -5.662 334 H ASP 37 HN ASP 37 79.507 8.620 -3.367 335 HA ASP 37 HA ASP 37 77.527 6.709 -2.447 336 1HB ASP 37 HB2 ASP 37 77.512 9.281 -2.157 337 2HB ASP 37 HB1 ASP 37 76.928 9.335 -3.818 338 H GLU 38 HN GLU 38 75.840 5.800 -3.679 339 HA GLU 38 HA GLU 38 76.501 5.364 -6.529 340 1HB GLU 38 HB2 GLU 38 75.762 3.595 -4.755 341 2HB GLU 38 HB1 GLU 38 74.156 4.236 -5.038 342 1HG GLU 38 HG2 GLU 38 75.964 3.194 -7.226 343 2HG GLU 38 HG1 GLU 38 74.716 2.234 -6.434 344 H LYS 39 HN LYS 39 74.455 7.091 -4.478 345 HA LYS 39 HA LYS 39 72.301 7.660 -6.299 346 1HB LYS 39 HB2 LYS 39 72.114 7.778 -3.835 347 2HB LYS 39 HB1 LYS 39 73.248 9.120 -3.835 348 1HG LYS 39 HG2 LYS 39 71.713 10.459 -5.202 349 2HG LYS 39 HG1 LYS 39 70.577 9.111 -5.268 350 1HD LYS 39 HD2 LYS 39 70.519 9.180 -2.731 351 2HD LYS 39 HD1 LYS 39 71.415 10.696 -2.831 352 1HE LYS 39 HE2 LYS 39 68.747 10.176 -4.176 353 2HE LYS 39 HE1 LYS 39 68.958 11.069 -2.670 354 1HZ LYS 39 HZ1 LYS 39 68.981 12.181 -5.108 355 2HZ LYS 39 HZ2 LYS 39 70.644 11.947 -4.845 356 3HZ LYS 39 HZ3 LYS 39 69.726 12.858 -3.743 357 H THR 40 HN THR 40 75.053 9.563 -5.089 358 HA THR 40 HA THR 40 74.659 11.506 -7.319 359 HB THR 40 HB THR 40 76.226 12.934 -6.034 360 HG1 THR 40 HG1 THR 40 77.346 11.182 -5.041 361 1HG2 THR 40 HG21 THR 40 74.082 11.881 -4.190 362 2HG2 THR 40 HG22 THR 40 73.696 12.821 -5.632 363 3HG2 THR 40 HG23 THR 40 74.670 13.536 -4.347 364 H LYS 41 HN LYS 41 76.503 8.740 -6.668 365 HA LYS 41 HA LYS 41 78.519 7.948 -7.621 366 1HB LYS 41 HB2 LYS 41 77.857 9.962 -9.784 367 2HB LYS 41 HB1 LYS 41 78.820 8.496 -9.956 368 1HG LYS 41 HG2 LYS 41 76.740 7.218 -9.185 369 2HG LYS 41 HG1 LYS 41 75.851 8.720 -9.443 370 1HD LYS 41 HD2 LYS 41 77.413 7.137 -11.496 371 2HD LYS 41 HD1 LYS 41 75.674 7.426 -11.467 372 1HE LYS 41 HE2 LYS 41 76.469 8.992 -13.039 373 2HE LYS 41 HE1 LYS 41 76.308 9.946 -11.569 374 1HZ LYS 41 HZ1 LYS 41 78.852 8.633 -11.816 375 2HZ LYS 41 HZ2 LYS 41 78.498 10.255 -11.457 376 3HZ LYS 41 HZ3 LYS 41 78.550 9.731 -13.072 377 H GLU 42 HN GLU 42 78.507 10.460 -5.904 378 HA GLU 42 HA GLU 42 80.988 11.785 -6.933 379 1HB GLU 42 HB2 GLU 42 78.608 12.766 -5.689 380 2HB GLU 42 HB1 GLU 42 79.921 13.053 -4.557 381 1HG GLU 42 HG2 GLU 42 79.779 14.982 -5.975 382 2HG GLU 42 HG1 GLU 42 81.203 14.080 -6.483 383 H VAL 43 HN VAL 43 82.655 12.274 -5.243 384 HA VAL 43 HA VAL 43 83.113 9.891 -3.576 385 HB VAL 43 HB VAL 43 84.816 12.363 -3.989 386 1HG1 VAL 43 HG11 VAL 43 85.380 9.686 -2.682 387 2HG1 VAL 43 HG12 VAL 43 85.377 11.264 -1.895 388 3HG1 VAL 43 HG13 VAL 43 86.621 10.873 -3.080 389 1HG2 VAL 43 HG21 VAL 43 84.669 9.666 -5.344 390 2HG2 VAL 43 HG22 VAL 43 86.168 10.591 -5.335 391 3HG2 VAL 43 HG23 VAL 43 84.722 11.267 -6.081 392 H ILE 44 HN ILE 44 82.606 9.779 -1.465 393 HA ILE 44 HA ILE 44 81.752 12.266 -0.079 394 HB ILE 44 HB ILE 44 81.391 9.414 0.839 395 1HG1 ILE 44 HG12 ILE 44 80.352 9.561 -1.341 396 2HG1 ILE 44 HG11 ILE 44 79.073 9.657 -0.133 397 1HG2 ILE 44 HG21 ILE 44 80.028 12.037 1.498 398 2HG2 ILE 44 HG22 ILE 44 81.057 11.084 2.567 399 3HG2 ILE 44 HG23 ILE 44 79.482 10.462 2.074 400 1HD1 ILE 44 HD11 ILE 44 78.548 11.394 -1.642 401 2HD1 ILE 44 HD12 ILE 44 80.236 11.867 -1.824 402 3HD1 ILE 44 HD13 ILE 44 79.375 12.231 -0.329 403 H GLN 45 HN GLN 45 84.155 9.691 0.080 404 HA GLN 45 HA GLN 45 85.777 11.259 1.888 405 1HB GLN 45 HB2 GLN 45 84.019 10.364 3.458 406 2HB GLN 45 HB1 GLN 45 84.586 8.743 3.072 407 1HG GLN 45 HG2 GLN 45 86.707 9.114 4.044 408 2HG GLN 45 HG1 GLN 45 86.485 10.865 4.067 409 1HE2 GLN 45 HE21 GLN 45 85.407 11.782 5.859 410 2HE2 GLN 45 HE22 GLN 45 84.813 10.872 7.161 411 H GLU 46 HN GLU 46 87.729 10.017 2.564 412 HA GLU 46 HA GLU 46 88.381 7.708 0.821 413 1HB GLU 46 HB2 GLU 46 89.890 10.304 1.101 414 2HB GLU 46 HB1 GLU 46 90.688 8.827 0.558 415 1HG GLU 46 HG2 GLU 46 89.254 8.646 -1.345 416 2HG GLU 46 HG1 GLU 46 88.179 9.907 -0.741 417 H TRP 47 HN TRP 47 90.223 6.458 1.594 418 HA TRP 47 HA TRP 47 90.984 6.928 4.437 419 1HB TRP 47 HB2 TRP 47 89.810 4.391 3.285 420 2HB TRP 47 HB1 TRP 47 90.660 4.448 4.823 421 HD1 TRP 47 HD1 TRP 47 87.540 5.877 3.087 422 HE1 TRP 47 HE1 TRP 47 85.836 6.553 4.900 423 HE3 TRP 47 HE3 TRP 47 90.325 5.040 7.288 424 HZ2 TRP 47 HZ2 TRP 47 85.669 6.717 7.734 425 HZ3 TRP 47 HZ3 TRP 47 89.364 5.466 9.534 426 HH2 TRP 47 HH2 TRP 47 87.041 6.305 9.763 427 H SER 48 HN SER 48 93.015 5.876 4.990 428 HA SER 48 HA SER 48 94.752 5.495 2.634 429 1HB SER 48 HB2 SER 48 95.199 5.848 5.569 430 2HB SER 48 HB1 SER 48 96.481 5.142 4.592 431 HG SER 48 HG SER 48 96.763 7.334 4.550 432 H LEU 49 HN LEU 49 95.546 3.514 1.969 433 HA LEU 49 HA LEU 49 94.228 1.129 2.848 434 1HB LEU 49 HB2 LEU 49 96.361 1.856 0.916 435 2HB LEU 49 HB1 LEU 49 96.499 0.216 1.541 436 HG LEU 49 HG LEU 49 93.850 1.246 0.524 437 1HD1 LEU 49 HD11 LEU 49 94.515 0.066 -1.658 438 2HD1 LEU 49 HD12 LEU 49 96.178 0.176 -1.082 439 3HD1 LEU 49 HD13 LEU 49 95.244 1.645 -1.365 440 1HD2 LEU 49 HD21 LEU 49 94.980 -1.553 0.363 441 2HD2 LEU 49 HD22 LEU 49 93.292 -1.043 0.351 442 3HD2 LEU 49 HD23 LEU 49 94.225 -0.965 1.843 443 H THR 50 HN THR 50 97.381 2.553 3.603 444 HA THR 50 HA THR 50 98.373 0.346 5.128 445 HB THR 50 HB THR 50 99.007 3.295 5.330 446 HG1 THR 50 HG1 THR 50 99.847 2.829 3.468 447 1HG2 THR 50 HG21 THR 50 101.215 2.279 6.247 448 2HG2 THR 50 HG22 THR 50 100.241 0.847 6.574 449 3HG2 THR 50 HG23 THR 50 99.831 2.386 7.332 450 H ASN 51 HN ASN 51 95.758 2.336 5.694 451 HA ASN 51 HA ASN 51 96.045 2.446 8.632 452 1HB ASN 51 HB2 ASN 51 94.940 4.274 7.264 453 2HB ASN 51 HB1 ASN 51 93.613 3.154 6.974 454 1HD2 ASN 51 HD21 ASN 51 92.313 4.838 8.246 455 2HD2 ASN 51 HD22 ASN 51 92.341 4.751 9.941 456 H ILE 52 HN ILE 52 94.143 0.687 6.202 457 HA ILE 52 HA ILE 52 92.329 -0.620 7.908 458 HB ILE 52 HB ILE 52 93.715 -1.704 5.436 459 1HG1 ILE 52 HG12 ILE 52 90.971 -0.447 5.784 460 2HG1 ILE 52 HG11 ILE 52 92.382 0.424 5.188 461 1HG2 ILE 52 HG21 ILE 52 91.315 -2.668 7.014 462 2HG2 ILE 52 HG22 ILE 52 92.785 -3.565 6.639 463 3HG2 ILE 52 HG23 ILE 52 91.639 -3.178 5.358 464 1HD1 ILE 52 HD11 ILE 52 92.563 -1.454 3.420 465 2HD1 ILE 52 HD12 ILE 52 91.264 -0.279 3.222 466 3HD1 ILE 52 HD13 ILE 52 90.916 -1.874 3.890 467 H LYS 53 HN LYS 53 92.765 -1.798 9.686 468 HA LYS 53 HA LYS 53 95.402 -3.014 10.089 469 1HB LYS 53 HB2 LYS 53 94.283 -1.994 11.998 470 2HB LYS 53 HB1 LYS 53 92.872 -3.027 11.763 471 1HG LYS 53 HG2 LYS 53 94.107 -4.996 12.344 472 2HG LYS 53 HG1 LYS 53 95.641 -4.128 12.286 473 1HD LYS 53 HD2 LYS 53 95.073 -2.834 14.233 474 2HD LYS 53 HD1 LYS 53 93.413 -3.429 14.211 475 1HE LYS 53 HE2 LYS 53 94.136 -5.669 14.757 476 2HE LYS 53 HE1 LYS 53 95.831 -5.219 14.572 477 1HZ LYS 53 HZ1 LYS 53 94.945 -3.415 16.361 478 2HZ LYS 53 HZ2 LYS 53 95.740 -4.862 16.760 479 3HZ LYS 53 HZ3 LYS 53 94.043 -4.785 16.791 480 H ARG 54 HN ARG 54 92.040 -4.181 9.792 481 HA ARG 54 HA ARG 54 93.013 -6.661 8.526 482 1HB ARG 54 HB2 ARG 54 91.657 -8.065 10.145 483 2HB ARG 54 HB1 ARG 54 93.114 -7.358 10.839 484 1HG ARG 54 HG2 ARG 54 91.921 -5.783 12.094 485 2HG ARG 54 HG1 ARG 54 90.525 -5.837 11.027 486 1HD ARG 54 HD2 ARG 54 89.731 -7.842 11.946 487 2HD ARG 54 HD1 ARG 54 91.300 -8.266 12.633 488 HE ARG 54 HE ARG 54 90.554 -5.874 13.894 489 1HH1 ARG 54 HH21 ARG 54 89.258 -9.037 13.429 490 2HH1 ARG 54 HH22 ARG 54 88.374 -9.038 14.919 491 1HH2 ARG 54 HH11 ARG 54 89.406 -5.860 15.843 492 2HH2 ARG 54 HH12 ARG 54 88.457 -7.240 16.285 493 H TRP 55 HN TRP 55 90.895 -8.094 8.139 494 HA TRP 55 HA TRP 55 88.444 -6.523 7.894 495 1HB TRP 55 HB2 TRP 55 88.257 -6.777 5.432 496 2HB TRP 55 HB1 TRP 55 89.617 -5.754 5.882 497 HD1 TRP 55 HD1 TRP 55 88.853 -9.370 4.800 498 HE1 TRP 55 HE1 TRP 55 90.955 -10.334 3.650 499 HE3 TRP 55 HE3 TRP 55 92.107 -5.507 5.528 500 HZ2 TRP 55 HZ2 TRP 55 93.651 -9.556 3.097 501 HZ3 TRP 55 HZ3 TRP 55 94.429 -5.642 4.679 502 HH2 TRP 55 HH2 TRP 55 95.203 -7.662 3.467 503 H ALA 56 HN ALA 56 86.734 -7.890 6.732 504 HA ALA 56 HA ALA 56 87.256 -10.806 6.881 505 1HB ALA 56 HB1 ALA 56 86.516 -10.553 9.105 506 2HB ALA 56 HB2 ALA 56 85.031 -10.963 8.245 507 3HB ALA 56 HB3 ALA 56 85.366 -9.287 8.679 508 H ALA 57 HN ALA 57 86.515 -11.451 4.917 509 HA ALA 57 HA ALA 57 84.269 -9.960 3.651 510 1HB ALA 57 HB1 ALA 57 85.960 -12.132 2.406 511 2HB ALA 57 HB2 ALA 57 86.470 -10.444 2.450 512 3HB ALA 57 HB3 ALA 57 85.000 -10.899 1.590 513 H SER 58 HN SER 58 82.288 -10.762 4.005 514 HA SER 58 HA SER 58 81.947 -13.671 4.474 515 1HB SER 58 HB2 SER 58 80.515 -11.210 5.284 516 2HB SER 58 HB1 SER 58 79.464 -12.558 4.869 517 HG SER 58 HG SER 58 79.938 -12.970 6.925 518 HA PRO 59 HA PRO 59 80.271 -14.358 0.461 519 1HB PRO 59 HB2 PRO 59 77.863 -15.726 1.173 520 2HB PRO 59 HB1 PRO 59 79.428 -16.460 0.803 521 1HG PRO 59 HG2 PRO 59 78.140 -16.064 3.437 522 2HG PRO 59 HG1 PRO 59 79.464 -17.155 2.997 523 1HD PRO 59 HD2 PRO 59 79.740 -14.792 4.488 524 2HD PRO 59 HD1 PRO 59 81.062 -15.641 3.665 525 H LYS 60 HN LYS 60 78.957 -12.158 2.538 526 HA LYS 60 HA LYS 60 77.034 -11.212 0.474 527 1HB LYS 60 HB2 LYS 60 75.272 -10.909 2.118 528 2HB LYS 60 HB1 LYS 60 75.781 -12.593 2.121 529 1HG LYS 60 HG2 LYS 60 77.429 -11.829 4.008 530 2HG LYS 60 HG1 LYS 60 76.336 -10.459 4.156 531 1HD LYS 60 HD2 LYS 60 74.448 -12.198 4.297 532 2HD LYS 60 HD1 LYS 60 75.730 -13.384 4.552 533 1HE LYS 60 HE2 LYS 60 76.538 -12.110 6.499 534 2HE LYS 60 HE1 LYS 60 75.276 -10.906 6.243 535 1HZ LYS 60 HZ1 LYS 60 74.984 -13.727 7.072 536 2HZ LYS 60 HZ2 LYS 60 73.680 -12.860 6.411 537 3HZ LYS 60 HZ3 LYS 60 74.414 -12.332 7.850 538 H SER 61 HN SER 61 79.121 -10.539 3.197 539 HA SER 61 HA SER 61 78.877 -7.617 2.571 540 1HB SER 61 HB2 SER 61 77.501 -7.866 4.503 541 2HB SER 61 HB1 SER 61 78.672 -8.924 5.284 542 HG SER 61 HG SER 61 78.869 -6.838 6.104 543 H PHE 62 HN PHE 62 80.637 -6.331 3.469 544 HA PHE 62 HA PHE 62 83.205 -7.850 3.802 545 1HB PHE 62 HB2 PHE 62 83.051 -6.787 1.550 546 2HB PHE 62 HB1 PHE 62 82.790 -5.225 2.324 547 HD1 PHE 62 HD1 PHE 62 85.170 -8.123 2.560 548 HD2 PHE 62 HD2 PHE 62 84.675 -3.858 2.596 549 HE1 PHE 62 HE1 PHE 62 87.619 -7.844 2.791 550 HE2 PHE 62 HE2 PHE 62 87.132 -3.583 2.820 551 HZ PHE 62 HZ PHE 62 88.600 -5.573 2.920 552 H THR 63 HN THR 63 84.530 -7.061 5.475 553 HA THR 63 HA THR 63 83.591 -4.594 6.920 554 HB THR 63 HB THR 63 84.256 -7.321 8.058 555 HG1 THR 63 HG1 THR 63 82.200 -7.141 8.876 556 1HG2 THR 63 HG21 THR 63 85.387 -5.933 9.575 557 2HG2 THR 63 HG22 THR 63 83.777 -6.048 10.287 558 3HG2 THR 63 HG23 THR 63 84.234 -4.611 9.373 559 H LEU 64 HN LEU 64 85.244 -3.270 7.618 560 HA LEU 64 HA LEU 64 88.054 -4.301 7.443 561 1HB LEU 64 HB2 LEU 64 88.581 -1.835 6.714 562 2HB LEU 64 HB1 LEU 64 88.040 -2.995 5.506 563 HG LEU 64 HG LEU 64 85.951 -1.418 6.969 564 1HD1 LEU 64 HD11 LEU 64 87.821 -0.314 4.875 565 2HD1 LEU 64 HD12 LEU 64 87.350 0.404 6.416 566 3HD1 LEU 64 HD13 LEU 64 86.193 0.331 5.088 567 1HD2 LEU 64 HD21 LEU 64 86.013 -1.940 4.006 568 2HD2 LEU 64 HD22 LEU 64 84.634 -1.881 5.097 569 3HD2 LEU 64 HD23 LEU 64 85.687 -3.291 5.090 570 H ASP 65 HN ASP 65 89.533 -3.157 8.858 571 HA ASP 65 HA ASP 65 88.194 -1.603 11.053 572 1HB ASP 65 HB2 ASP 65 90.418 -3.590 11.539 573 2HB ASP 65 HB1 ASP 65 89.351 -2.839 12.720 574 H PHE 66 HN PHE 66 89.131 0.347 11.231 575 HA PHE 66 HA PHE 66 91.813 0.805 10.064 576 1HB PHE 66 HB2 PHE 66 89.756 2.662 11.296 577 2HB PHE 66 HB1 PHE 66 91.305 3.199 10.647 578 HD1 PHE 66 HD1 PHE 66 91.851 2.266 8.201 579 HD2 PHE 66 HD2 PHE 66 87.908 2.692 9.853 580 HE1 PHE 66 HE1 PHE 66 90.896 2.304 5.913 581 HE2 PHE 66 HE2 PHE 66 86.954 2.729 7.565 582 HZ PHE 66 HZ PHE 66 88.448 2.536 5.594 583 H GLY 67 HN GLY 67 90.602 -0.243 12.950 584 1HA GLY 67 HA2 GLY 67 91.794 -0.642 14.962 585 2HA GLY 67 HA1 GLY 67 93.100 0.380 14.359 586 H ASP 68 HN ASP 68 90.408 2.154 13.808 587 HA ASP 68 HA ASP 68 90.907 3.832 16.165 588 1HB ASP 68 HB2 ASP 68 88.760 4.276 14.097 589 2HB ASP 68 HB1 ASP 68 89.572 5.470 15.100 590 H TYR 69 HN TYR 69 90.085 2.625 17.929 591 HA TYR 69 HA TYR 69 87.689 1.217 18.122 592 1HB TYR 69 HB2 TYR 69 89.255 1.288 19.979 593 2HB TYR 69 HB1 TYR 69 89.004 3.023 20.170 594 HD1 TYR 69 HD1 TYR 69 87.204 3.864 21.461 595 HD2 TYR 69 HD2 TYR 69 87.286 -0.276 20.333 596 HE1 TYR 69 HE1 TYR 69 85.281 3.418 22.966 597 HE2 TYR 69 HE2 TYR 69 85.363 -0.726 21.836 598 HH TYR 69 HH TYR 69 83.930 1.877 23.811 599 H GLN 70 HN GLN 70 88.237 4.683 18.308 600 HA GLN 70 HA GLN 70 85.673 5.562 19.085 601 1HB GLN 70 HB2 GLN 70 87.757 6.966 18.767 602 2HB GLN 70 HB1 GLN 70 87.456 6.900 17.036 603 1HG GLN 70 HG2 GLN 70 86.458 8.917 17.745 604 2HG GLN 70 HG1 GLN 70 85.117 7.793 17.578 605 1HE2 GLN 70 HE21 GLN 70 87.177 9.443 19.962 606 2HE2 GLN 70 HE22 GLN 70 86.167 9.145 21.293 607 H ASP 71 HN ASP 71 86.827 5.824 15.729 608 HA ASP 71 HA ASP 71 84.283 6.009 14.553 609 1HB ASP 71 HB2 ASP 71 86.600 6.402 13.518 610 2HB ASP 71 HB1 ASP 71 86.623 4.670 13.215 611 H GLY 72 HN GLY 72 86.117 3.205 15.555 612 1HA GLY 72 HA2 GLY 72 85.335 1.006 15.915 613 2HA GLY 72 HA1 GLY 72 83.738 1.541 15.398 614 H TYR 73 HN TYR 73 83.973 -0.699 14.314 615 HA TYR 73 HA TYR 73 85.697 -0.856 11.975 616 1HB TYR 73 HB2 TYR 73 83.268 -2.551 12.589 617 2HB TYR 73 HB1 TYR 73 84.625 -2.970 11.552 618 HD1 TYR 73 HD1 TYR 73 87.011 -2.602 12.815 619 HD2 TYR 73 HD2 TYR 73 83.278 -3.556 14.701 620 HE1 TYR 73 HE1 TYR 73 88.237 -3.552 14.750 621 HE2 TYR 73 HE2 TYR 73 84.499 -4.505 16.640 622 HH TYR 73 HH TYR 73 87.315 -3.904 17.511 623 H TYR 74 HN TYR 74 84.768 -1.198 9.779 624 HA TYR 74 HA TYR 74 82.266 0.346 9.269 625 1HB TYR 74 HB2 TYR 74 84.283 1.752 8.787 626 2HB TYR 74 HB1 TYR 74 84.829 0.513 7.663 627 HD1 TYR 74 HD1 TYR 74 82.139 2.989 8.328 628 HD2 TYR 74 HD2 TYR 74 83.886 0.296 5.475 629 HE1 TYR 74 HE1 TYR 74 80.744 3.983 6.534 630 HE2 TYR 74 HE2 TYR 74 82.491 1.287 3.681 631 HH TYR 74 HH TYR 74 80.689 2.617 3.278 632 H SER 75 HN SER 75 80.967 -1.275 8.552 633 HA SER 75 HA SER 75 81.997 -3.059 6.382 634 1HB SER 75 HB2 SER 75 81.781 -4.229 8.606 635 2HB SER 75 HB1 SER 75 80.056 -3.882 8.554 636 HG SER 75 HG SER 75 80.900 -5.977 7.650 637 H VAL 76 HN VAL 76 80.386 -3.839 4.936 638 HA VAL 76 HA VAL 76 77.710 -2.589 4.995 639 HB VAL 76 HB VAL 76 78.012 -1.667 2.685 640 1HG1 VAL 76 HG11 VAL 76 79.011 0.355 3.399 641 2HG1 VAL 76 HG12 VAL 76 80.106 -0.469 4.508 642 3HG1 VAL 76 HG13 VAL 76 78.390 -0.349 4.890 643 1HG2 VAL 76 HG21 VAL 76 80.342 -1.384 1.866 644 2HG2 VAL 76 HG22 VAL 76 79.904 -3.085 2.008 645 3HG2 VAL 76 HG23 VAL 76 80.925 -2.333 3.232 646 H GLN 77 HN GLN 77 76.482 -3.412 2.934 647 HA GLN 77 HA GLN 77 76.880 -6.289 2.833 648 1HB GLN 77 HB2 GLN 77 74.934 -4.380 1.531 649 2HB GLN 77 HB1 GLN 77 74.938 -6.103 1.162 650 1HG GLN 77 HG2 GLN 77 74.467 -6.682 3.437 651 2HG GLN 77 HG1 GLN 77 74.774 -5.036 3.986 652 1HE2 GLN 77 HE21 GLN 77 72.228 -6.742 4.102 653 2HE2 GLN 77 HE22 GLN 77 71.042 -5.767 3.379 654 H THR 78 HN THR 78 77.736 -7.470 1.155 655 HA THR 78 HA THR 78 78.414 -6.147 -1.400 656 HB THR 78 HB THR 78 80.763 -6.763 -1.270 657 HG1 THR 78 HG1 THR 78 80.598 -7.417 1.417 658 1HG2 THR 78 HG21 THR 78 80.038 -5.380 1.322 659 2HG2 THR 78 HG22 THR 78 79.966 -4.588 -0.250 660 3HG2 THR 78 HG23 THR 78 81.505 -5.173 0.369 661 H THR 79 HN THR 79 77.706 -7.574 -2.875 662 HA THR 79 HA THR 79 77.169 -10.343 -2.281 663 HB THR 79 HB THR 79 77.511 -9.005 -4.979 664 HG1 THR 79 HG1 THR 79 75.279 -9.322 -3.265 665 1HG2 THR 79 HG21 THR 79 75.877 -10.863 -5.626 666 2HG2 THR 79 HG22 THR 79 76.264 -11.602 -4.071 667 3HG2 THR 79 HG23 THR 79 77.530 -11.366 -5.276 668 H GLU 80 HN GLU 80 79.962 -8.594 -3.198 669 HA GLU 80 HA GLU 80 81.474 -11.141 -3.566 670 1HB GLU 80 HB2 GLU 80 82.097 -8.606 -5.086 671 2HB GLU 80 HB1 GLU 80 82.713 -10.231 -5.372 672 1HG GLU 80 HG2 GLU 80 80.389 -10.965 -5.932 673 2HG GLU 80 HG1 GLU 80 79.865 -9.292 -5.774 674 H GLY 81 HN GLY 81 81.189 -9.630 -1.155 675 1HA GLY 81 HA2 GLY 81 83.172 -7.736 -0.594 676 2HA GLY 81 HA1 GLY 81 82.633 -8.938 0.579 677 H GLU 82 HN GLU 82 83.560 -10.978 -1.590 678 HA GLU 82 HA GLU 82 86.157 -11.464 -0.393 679 1HB GLU 82 HB2 GLU 82 84.927 -13.400 -1.018 680 2HB GLU 82 HB1 GLU 82 84.571 -12.754 -2.614 681 1HG GLU 82 HG2 GLU 82 86.763 -13.103 -3.379 682 2HG GLU 82 HG1 GLU 82 87.399 -13.290 -1.752 683 H GLN 83 HN GLN 83 85.166 -10.810 -3.755 684 HA GLN 83 HA GLN 83 87.732 -10.408 -4.837 685 1HB GLN 83 HB2 GLN 83 85.287 -8.802 -5.588 686 2HB GLN 83 HB1 GLN 83 86.666 -9.161 -6.611 687 1HG GLN 83 HG2 GLN 83 86.095 -11.494 -6.677 688 2HG GLN 83 HG1 GLN 83 84.860 -11.275 -5.449 689 1HE2 GLN 83 HE21 GLN 83 83.153 -12.002 -6.859 690 2HE2 GLN 83 HE22 GLN 83 82.586 -11.038 -8.135 691 H ILE 84 HN ILE 84 85.563 -8.102 -3.282 692 HA ILE 84 HA ILE 84 87.179 -5.785 -3.526 693 HB ILE 84 HB ILE 84 85.503 -6.557 -1.116 694 1HG1 ILE 84 HG12 ILE 84 84.717 -5.336 -3.778 695 2HG1 ILE 84 HG11 ILE 84 84.151 -6.865 -3.104 696 1HG2 ILE 84 HG21 ILE 84 85.336 -4.220 -0.699 697 2HG2 ILE 84 HG22 ILE 84 85.981 -3.811 -2.289 698 3HG2 ILE 84 HG23 ILE 84 87.038 -4.498 -1.058 699 1HD1 ILE 84 HD11 ILE 84 83.517 -4.063 -2.183 700 2HD1 ILE 84 HD12 ILE 84 83.284 -5.451 -1.122 701 3HD1 ILE 84 HD13 ILE 84 82.396 -5.344 -2.642 702 H ALA 85 HN ALA 85 87.392 -8.595 -1.464 703 HA ALA 85 HA ALA 85 89.512 -7.447 0.226 704 1HB ALA 85 HB1 ALA 85 88.786 -10.375 0.075 705 2HB ALA 85 HB2 ALA 85 87.738 -9.227 0.906 706 3HB ALA 85 HB3 ALA 85 89.399 -9.457 1.452 707 H GLN 86 HN GLN 86 89.201 -9.388 -2.663 708 HA GLN 86 HA GLN 86 91.977 -10.311 -2.614 709 1HB GLN 86 HB2 GLN 86 90.018 -11.505 -3.731 710 2HB GLN 86 HB1 GLN 86 90.115 -10.277 -4.980 711 1HG GLN 86 HG2 GLN 86 92.601 -10.889 -5.150 712 2HG GLN 86 HG1 GLN 86 92.186 -12.318 -4.216 713 1HE2 GLN 86 HE21 GLN 86 93.109 -12.348 -6.993 714 2HE2 GLN 86 HE22 GLN 86 91.851 -13.000 -7.919 715 H LEU 87 HN LEU 87 90.099 -7.801 -4.215 716 HA LEU 87 HA LEU 87 92.259 -6.877 -5.876 717 1HB LEU 87 HB2 LEU 87 89.944 -6.332 -6.447 718 2HB LEU 87 HB1 LEU 87 89.734 -5.501 -4.907 719 HG LEU 87 HG LEU 87 91.369 -3.813 -5.537 720 1HD1 LEU 87 HD11 LEU 87 91.813 -5.672 -7.872 721 2HD1 LEU 87 HD12 LEU 87 93.004 -4.883 -6.840 722 3HD1 LEU 87 HD13 LEU 87 92.139 -3.949 -8.057 723 1HD2 LEU 87 HD21 LEU 87 89.228 -4.423 -7.585 724 2HD2 LEU 87 HD22 LEU 87 90.192 -2.947 -7.651 725 3HD2 LEU 87 HD23 LEU 87 89.166 -3.268 -6.253 726 H ILE 88 HN ILE 88 90.966 -6.017 -2.731 727 HA ILE 88 HA ILE 88 92.800 -3.828 -2.263 728 HB ILE 88 HB ILE 88 90.970 -5.483 -0.513 729 1HG1 ILE 88 HG12 ILE 88 90.972 -2.529 -1.222 730 2HG1 ILE 88 HG11 ILE 88 90.041 -3.752 -2.085 731 1HG2 ILE 88 HG21 ILE 88 92.737 -4.944 0.994 732 2HG2 ILE 88 HG22 ILE 88 91.535 -3.683 1.258 733 3HG2 ILE 88 HG23 ILE 88 92.964 -3.348 0.282 734 1HD1 ILE 88 HD11 ILE 88 89.747 -2.902 0.802 735 2HD1 ILE 88 HD12 ILE 88 89.010 -4.371 0.162 736 3HD1 ILE 88 HD13 ILE 88 88.546 -2.796 -0.485 737 H ALA 89 HN ALA 89 92.609 -7.176 -1.032 738 HA ALA 89 HA ALA 89 95.022 -7.199 0.437 739 1HB ALA 89 HB1 ALA 89 93.452 -9.068 0.533 740 2HB ALA 89 HB2 ALA 89 95.030 -9.661 0.015 741 3HB ALA 89 HB3 ALA 89 93.742 -9.434 -1.169 742 H GLY 90 HN GLY 90 94.496 -6.965 -2.941 743 1HA GLY 90 HA2 GLY 90 97.178 -7.966 -3.667 744 2HA GLY 90 HA1 GLY 90 95.954 -7.372 -4.785 745 H TYR 91 HN TYR 91 95.552 -4.872 -3.161 746 HA TYR 91 HA TYR 91 97.716 -3.351 -4.420 747 1HB TYR 91 HB2 TYR 91 95.239 -2.647 -2.852 748 2HB TYR 91 HB1 TYR 91 96.469 -1.420 -3.120 749 HD1 TYR 91 HD1 TYR 91 93.477 -2.600 -4.375 750 HD2 TYR 91 HD2 TYR 91 97.407 -1.503 -5.728 751 HE1 TYR 91 HE1 TYR 91 92.582 -2.156 -6.640 752 HE2 TYR 91 HE2 TYR 91 96.508 -1.082 -7.994 753 HH TYR 91 HH TYR 91 93.620 -2.175 -9.063 754 H ILE 92 HN ILE 92 96.783 -4.323 -1.164 755 HA ILE 92 HA ILE 92 98.545 -2.669 0.304 756 HB ILE 92 HB ILE 92 97.702 -5.509 0.925 757 1HG1 ILE 92 HG12 ILE 92 96.454 -2.857 1.717 758 2HG1 ILE 92 HG11 ILE 92 95.829 -3.915 0.452 759 1HG2 ILE 92 HG21 ILE 92 98.738 -3.247 2.666 760 2HG2 ILE 92 HG22 ILE 92 99.561 -4.771 2.333 761 3HG2 ILE 92 HG23 ILE 92 98.079 -4.759 3.285 762 1HD1 ILE 92 HD11 ILE 92 94.573 -4.457 2.406 763 2HD1 ILE 92 HD12 ILE 92 96.019 -4.473 3.418 764 3HD1 ILE 92 HD13 ILE 92 95.756 -5.753 2.234 765 H ASP 93 HN ASP 93 99.158 -5.421 -1.693 766 HA ASP 93 HA ASP 93 101.814 -5.960 -0.561 767 1HB ASP 93 HB2 ASP 93 100.270 -7.042 -2.923 768 2HB ASP 93 HB1 ASP 93 101.939 -7.505 -2.599 769 H ILE 94 HN ILE 94 100.434 -3.993 -3.067 770 HA ILE 94 HA ILE 94 102.986 -3.668 -4.496 771 HB ILE 94 HB ILE 94 100.365 -2.196 -4.846 772 1HG1 ILE 94 HG12 ILE 94 101.498 -4.601 -6.315 773 2HG1 ILE 94 HG11 ILE 94 100.191 -4.667 -5.134 774 1HG2 ILE 94 HG21 ILE 94 102.282 -1.014 -5.813 775 2HG2 ILE 94 HG22 ILE 94 101.324 -1.730 -7.109 776 3HG2 ILE 94 HG23 ILE 94 102.828 -2.497 -6.595 777 1HD1 ILE 94 HD11 ILE 94 99.018 -2.917 -6.648 778 2HD1 ILE 94 HD12 ILE 94 99.064 -4.589 -7.203 779 3HD1 ILE 94 HD13 ILE 94 100.188 -3.406 -7.873 780 H ILE 95 HN ILE 95 101.263 -2.092 -1.932 781 HA ILE 95 HA ILE 95 102.742 0.442 -2.249 782 HB ILE 95 HB ILE 95 101.636 1.047 -0.109 783 1HG1 ILE 95 HG12 ILE 95 100.538 -1.768 -0.331 784 2HG1 ILE 95 HG11 ILE 95 101.588 -1.149 0.941 785 1HG2 ILE 95 HG21 ILE 95 100.538 1.241 -2.412 786 2HG2 ILE 95 HG22 ILE 95 99.443 1.246 -1.028 787 3HG2 ILE 95 HG23 ILE 95 99.640 -0.217 -1.993 788 1HD1 ILE 95 HD11 ILE 95 99.792 0.579 1.437 789 2HD1 ILE 95 HD12 ILE 95 99.364 -1.085 1.831 790 3HD1 ILE 95 HD13 ILE 95 98.732 -0.336 0.365 791 H LEU 96 HN LEU 96 103.015 -2.569 -0.596 792 HA LEU 96 HA LEU 96 104.991 -1.641 1.352 793 1HB LEU 96 HB2 LEU 96 103.741 -4.258 0.583 794 2HB LEU 96 HB1 LEU 96 105.204 -4.281 1.564 795 HG LEU 96 HG LEU 96 102.785 -2.609 2.302 796 1HD1 LEU 96 HD11 LEU 96 102.110 -4.437 3.799 797 2HD1 LEU 96 HD12 LEU 96 103.441 -5.425 3.202 798 3HD1 LEU 96 HD13 LEU 96 102.119 -4.985 2.122 799 1HD2 LEU 96 HD21 LEU 96 105.318 -3.487 3.698 800 2HD2 LEU 96 HD22 LEU 96 103.883 -3.100 4.642 801 3HD2 LEU 96 HD23 LEU 96 104.606 -1.878 3.604 802 H LYS 97 HN LYS 97 105.022 -2.991 -1.864 803 HA LYS 97 HA LYS 97 107.682 -4.021 -1.881 804 1HB LYS 97 HB2 LYS 97 107.521 -4.035 -4.265 805 2HB LYS 97 HB1 LYS 97 105.903 -4.370 -3.658 806 1HG LYS 97 HG2 LYS 97 105.266 -2.691 -5.093 807 2HG LYS 97 HG1 LYS 97 105.815 -1.629 -3.806 808 1HD LYS 97 HD2 LYS 97 106.955 -0.776 -5.662 809 2HD LYS 97 HD1 LYS 97 108.152 -1.857 -4.963 810 1HE LYS 97 HE2 LYS 97 107.131 -3.658 -6.542 811 2HE LYS 97 HE1 LYS 97 106.435 -2.284 -7.399 812 1HZ LYS 97 HZ1 LYS 97 109.319 -2.504 -6.754 813 2HZ LYS 97 HZ2 LYS 97 108.572 -1.392 -7.799 814 3HZ LYS 97 HZ3 LYS 97 108.654 -3.036 -8.220 815 H LYS 98 HN LYS 98 106.457 -0.755 -2.096 816 HA LYS 98 HA LYS 98 108.624 0.568 -3.298 817 1HB LYS 98 HB2 LYS 98 106.950 1.503 -0.947 818 2HB LYS 98 HB1 LYS 98 107.904 2.539 -2.008 819 1HG LYS 98 HG2 LYS 98 106.510 2.110 -3.876 820 2HG LYS 98 HG1 LYS 98 105.772 0.705 -3.110 821 1HD LYS 98 HD2 LYS 98 104.249 2.656 -3.083 822 2HD LYS 98 HD1 LYS 98 104.688 2.149 -1.453 823 1HE LYS 98 HE2 LYS 98 104.794 4.668 -1.933 824 2HE LYS 98 HE1 LYS 98 106.221 3.947 -1.188 825 1HZ LYS 98 HZ1 LYS 98 107.308 3.859 -3.282 826 2HZ LYS 98 HZ2 LYS 98 106.693 5.433 -3.105 827 3HZ LYS 98 HZ3 LYS 98 105.903 4.317 -4.113 828 H LYS 99 HN LYS 99 108.300 -0.762 -0.059 829 HA LYS 99 HA LYS 99 110.486 0.498 1.202 830 1HB LYS 99 HB2 LYS 99 109.648 -2.384 1.553 831 2HB LYS 99 HB1 LYS 99 110.517 -1.392 2.719 832 1HG LYS 99 HG2 LYS 99 108.609 0.077 2.985 833 2HG LYS 99 HG1 LYS 99 107.744 -0.742 1.685 834 1HD LYS 99 HD2 LYS 99 106.916 -1.545 3.838 835 2HD LYS 99 HD1 LYS 99 107.783 -2.844 3.020 836 1HE LYS 99 HE2 LYS 99 109.637 -2.682 4.452 837 2HE LYS 99 HE1 LYS 99 109.232 -1.040 4.953 838 1HZ LYS 99 HZ1 LYS 99 107.858 -3.556 5.702 839 2HZ LYS 99 HZ2 LYS 99 107.191 -2.019 5.986 840 3HZ LYS 99 HZ3 LYS 99 108.655 -2.463 6.724 841 H LYS 100 HN LYS 100 110.519 -1.377 -1.564 842 HA LYS 100 HA LYS 100 113.445 -1.541 -1.522 843 1HB LYS 100 HB2 LYS 100 112.909 -3.620 -0.369 844 2HB LYS 100 HB1 LYS 100 111.742 -4.050 -1.618 845 1HG LYS 100 HG2 LYS 100 113.459 -4.302 -3.270 846 2HG LYS 100 HG1 LYS 100 114.670 -3.566 -2.222 847 1HD LYS 100 HD2 LYS 100 113.243 -6.045 -1.273 848 2HD LYS 100 HD1 LYS 100 114.529 -6.208 -2.465 849 1HE LYS 100 HE2 LYS 100 114.800 -4.836 0.229 850 2HE LYS 100 HE1 LYS 100 115.415 -6.438 -0.173 851 1HZ LYS 100 HZ1 LYS 100 117.233 -5.080 -0.510 852 2HZ LYS 100 HZ2 LYS 100 116.310 -3.810 -1.159 853 3HZ LYS 100 HZ3 LYS 100 116.597 -5.211 -2.077 854 1H SER 1 HT1 SER 1 87.023 -17.645 11.839 855 2H SER 1 HT2 SER 1 86.308 -17.318 10.332 856 3H SER 1 HT3 SER 1 86.767 -16.039 11.354 857 HA SER 1 HA SER 1 89.104 -17.272 11.115 858 1HB SER 1 HB2 SER 1 87.684 -17.610 8.457 859 2HB SER 1 HB1 SER 1 89.378 -17.965 8.784 860 HG SER 1 HG SER 1 88.114 -19.262 10.610 861 H TRP 2 HN TRP 2 89.363 -15.013 11.680 862 HA TRP 2 HA TRP 2 88.655 -12.890 9.854 863 1HB TRP 2 HB2 TRP 2 90.345 -13.144 12.323 864 2HB TRP 2 HB1 TRP 2 90.609 -11.730 11.310 865 HD1 TRP 2 HD1 TRP 2 88.188 -13.236 13.755 866 HE1 TRP 2 HE1 TRP 2 86.274 -11.565 14.206 867 HE3 TRP 2 HE3 TRP 2 89.147 -9.810 10.107 868 HZ2 TRP 2 HZ2 TRP 2 85.287 -9.089 13.148 869 HZ3 TRP 2 HZ3 TRP 2 87.714 -7.805 9.845 870 HH2 TRP 2 HH2 TRP 2 85.793 -7.440 11.360 871 H VAL 3 HN VAL 3 90.724 -11.390 9.245 872 HA VAL 3 HA VAL 3 92.965 -12.951 8.180 873 HB VAL 3 HB VAL 3 91.446 -13.283 6.359 874 1HG1 VAL 3 HG11 VAL 3 90.874 -10.327 6.591 875 2HG1 VAL 3 HG12 VAL 3 89.772 -11.633 7.039 876 3HG1 VAL 3 HG13 VAL 3 90.214 -11.389 5.348 877 1HG2 VAL 3 HG21 VAL 3 92.611 -12.242 4.573 878 2HG2 VAL 3 HG22 VAL 3 93.799 -12.314 5.879 879 3HG2 VAL 3 HG23 VAL 3 92.961 -10.801 5.528 880 1HN PTR 4 HN PTR 4 94.770 -11.642 7.935 881 HA PTR 4 HA PTR 4 94.404 -8.723 8.565 882 1HB PTR 4 HB1 PTR 4 96.782 -8.951 9.475 883 2HB PTR 4 HB2 PTR 4 96.561 -10.696 9.347 884 HD1 PTR 4 HD1 PTR 4 94.205 -11.561 10.363 885 HD2 PTR 4 HD2 PTR 4 96.244 -7.955 11.524 886 HE1 PTR 4 HE1 PTR 4 92.995 -11.568 12.520 887 HE2 PTR 4 HE2 PTR 4 95.027 -7.969 13.682 888 H SER 5 HN SER 5 96.893 -7.795 7.981 889 HA SER 5 HA SER 5 97.367 -8.551 5.123 890 1HB SER 5 HB2 SER 5 96.916 -6.416 4.448 891 2HB SER 5 HB1 SER 5 96.269 -6.134 6.057 892 HG SER 5 HG SER 5 98.142 -5.236 6.668 893 HA PRO 6 HA PRO 6 101.620 -8.823 6.255 894 1HB PRO 6 HB2 PRO 6 102.829 -7.492 4.061 895 2HB PRO 6 HB1 PRO 6 102.423 -9.210 4.139 896 1HG PRO 6 HG2 PRO 6 101.053 -7.053 2.648 897 2HG PRO 6 HG1 PRO 6 100.942 -8.807 2.426 898 1HD PRO 6 HD2 PRO 6 98.969 -7.156 3.622 899 2HD PRO 6 HD1 PRO 6 99.031 -8.931 3.681 900 H LEU 7 HN LEU 7 100.128 -5.772 5.724 901 HA LEU 7 HA LEU 7 102.047 -3.836 6.070 902 1HB LEU 7 HB2 LEU 7 99.332 -4.073 7.375 903 2HB LEU 7 HB1 LEU 7 100.316 -2.623 7.506 904 HG LEU 7 HG LEU 7 99.604 -3.862 4.835 905 1HD1 LEU 7 HD11 LEU 7 97.793 -2.201 4.678 906 2HD1 LEU 7 HD12 LEU 7 98.137 -1.664 6.323 907 3HD1 LEU 7 HD13 LEU 7 97.527 -3.293 6.038 908 1HD2 LEU 7 HD21 LEU 7 100.830 -1.259 5.754 909 2HD2 LEU 7 HD22 LEU 7 99.929 -1.304 4.242 910 3HD2 LEU 7 HD23 LEU 7 101.344 -2.332 4.454 911 H HIS 8 HN HIS 8 100.666 -5.826 8.701 912 HA HIS 8 HA HIS 8 102.386 -4.596 10.704 913 1HB HIS 8 HB2 HIS 8 101.495 -6.345 12.194 914 2HB HIS 8 HB1 HIS 8 100.193 -5.564 11.299 915 HD1 HIS 8 HD1 HIS 8 102.481 -8.588 10.791 916 HD2 HIS 8 HD2 HIS 8 98.538 -7.413 10.121 917 HE1 HIS 8 HE1 HIS 8 101.296 -10.592 9.792 Start of MODEL 5 1 1H LEU 1 HT1 LEU 1 86.465 15.591 -8.410 2 2H LEU 1 HT2 LEU 1 86.165 15.805 -10.068 3 3H LEU 1 HT3 LEU 1 87.332 16.757 -9.284 4 HA LEU 1 HA LEU 1 87.498 14.001 -10.223 5 1HB LEU 1 HB2 LEU 1 89.612 16.134 -9.806 6 2HB LEU 1 HB1 LEU 1 89.754 14.681 -10.792 7 HG LEU 1 HG LEU 1 87.661 16.800 -11.348 8 1HD1 LEU 1 HD11 LEU 1 89.229 17.625 -13.107 9 2HD1 LEU 1 HD12 LEU 1 90.480 16.577 -12.439 10 3HD1 LEU 1 HD13 LEU 1 89.829 17.901 -11.472 11 1HD2 LEU 1 HD21 LEU 1 87.223 14.679 -12.429 12 2HD2 LEU 1 HD22 LEU 1 88.901 14.540 -12.951 13 3HD2 LEU 1 HD23 LEU 1 87.858 15.775 -13.653 14 H LYS 2 HN LYS 2 86.818 14.641 -7.386 15 HA LYS 2 HA LYS 2 89.158 14.111 -5.795 16 1HB LYS 2 HB2 LYS 2 86.191 14.017 -5.260 17 2HB LYS 2 HB1 LYS 2 87.371 13.559 -4.031 18 1HG LYS 2 HG2 LYS 2 86.702 15.944 -3.855 19 2HG LYS 2 HG1 LYS 2 88.423 15.753 -4.167 20 1HD LYS 2 HD2 LYS 2 88.217 16.417 -6.419 21 2HD LYS 2 HD1 LYS 2 86.477 16.135 -6.437 22 1HE LYS 2 HE2 LYS 2 86.187 18.017 -4.827 23 2HE LYS 2 HE1 LYS 2 87.922 18.325 -4.914 24 1HZ LYS 2 HZ1 LYS 2 85.929 18.545 -7.095 25 2HZ LYS 2 HZ2 LYS 2 87.604 18.544 -7.376 26 3HZ LYS 2 HZ3 LYS 2 86.897 19.776 -6.443 27 H THR 3 HN THR 3 88.111 12.204 -8.068 28 HA THR 3 HA THR 3 89.055 9.775 -6.823 29 HB THR 3 HB THR 3 86.944 9.547 -5.782 30 HG1 THR 3 HG1 THR 3 87.538 7.728 -7.068 31 1HG2 THR 3 HG21 THR 3 85.728 11.342 -6.778 32 2HG2 THR 3 HG22 THR 3 84.818 9.879 -7.149 33 3HG2 THR 3 HG23 THR 3 85.839 10.618 -8.382 34 H TYR 4 HN TYR 4 90.116 10.756 -8.985 35 HA TYR 4 HA TYR 4 88.781 9.620 -11.397 36 1HB TYR 4 HB2 TYR 4 89.791 11.973 -11.335 37 2HB TYR 4 HB1 TYR 4 91.366 11.184 -11.300 38 HD1 TYR 4 HD1 TYR 4 88.631 12.241 -13.369 39 HD2 TYR 4 HD2 TYR 4 91.916 9.493 -13.149 40 HE1 TYR 4 HE1 TYR 4 88.531 11.932 -15.828 41 HE2 TYR 4 HE2 TYR 4 91.822 9.180 -15.609 42 HH TYR 4 HH TYR 4 89.595 9.578 -17.427 43 H GLY 5 HN GLY 5 89.458 7.696 -12.228 44 1HA GLY 5 HA2 GLY 5 90.951 5.942 -12.786 45 2HA GLY 5 HA1 GLY 5 92.234 6.811 -11.946 46 H VAL 6 HN VAL 6 89.432 6.555 -10.068 47 HA VAL 6 HA VAL 6 90.731 4.496 -8.356 48 HB VAL 6 HB VAL 6 88.258 6.147 -7.767 49 1HG1 VAL 6 HG11 VAL 6 90.266 4.745 -5.978 50 2HG1 VAL 6 HG12 VAL 6 88.649 4.148 -6.353 51 3HG1 VAL 6 HG13 VAL 6 88.848 5.642 -5.438 52 1HG2 VAL 6 HG21 VAL 6 91.192 6.742 -7.297 53 2HG2 VAL 6 HG22 VAL 6 89.885 7.591 -6.473 54 3HG2 VAL 6 HG23 VAL 6 90.045 7.707 -8.225 55 H SER 7 HN SER 7 89.757 2.493 -7.958 56 HA SER 7 HA SER 7 87.645 1.697 -9.839 57 1HB SER 7 HB2 SER 7 88.791 -0.043 -7.665 58 2HB SER 7 HB1 SER 7 88.134 -0.518 -9.225 59 HG SER 7 HG SER 7 90.010 -0.152 -10.102 60 H PHE 8 HN PHE 8 85.607 2.164 -9.305 61 HA PHE 8 HA PHE 8 84.744 2.308 -6.469 62 1HB PHE 8 HB2 PHE 8 82.478 2.792 -7.912 63 2HB PHE 8 HB1 PHE 8 83.655 4.043 -7.529 64 HD1 PHE 8 HD1 PHE 8 85.104 4.969 -9.218 65 HD2 PHE 8 HD2 PHE 8 82.467 1.708 -10.148 66 HE1 PHE 8 HE1 PHE 8 85.525 5.317 -11.637 67 HE2 PHE 8 HE2 PHE 8 82.890 2.057 -12.566 68 HZ PHE 8 HZ PHE 8 84.418 3.861 -13.310 69 H PHE 9 HN PHE 9 83.220 0.872 -5.574 70 HA PHE 9 HA PHE 9 82.441 -1.513 -7.231 71 1HB PHE 9 HB2 PHE 9 83.666 -1.368 -4.476 72 2HB PHE 9 HB1 PHE 9 82.597 -2.709 -4.882 73 HD1 PHE 9 HD1 PHE 9 85.627 -0.878 -6.100 74 HD2 PHE 9 HD2 PHE 9 83.425 -4.565 -6.073 75 HE1 PHE 9 HE1 PHE 9 87.494 -2.002 -7.283 76 HE2 PHE 9 HE2 PHE 9 85.293 -5.691 -7.255 77 HZ PHE 9 HZ PHE 9 87.327 -4.407 -7.861 78 H LEU 10 HN LEU 10 80.278 -2.002 -7.100 79 HA LEU 10 HA LEU 10 78.541 -0.171 -5.645 80 1HB LEU 10 HB2 LEU 10 77.974 -1.161 -7.885 81 2HB LEU 10 HB1 LEU 10 77.802 -2.723 -7.094 82 HG LEU 10 HG LEU 10 76.139 -1.401 -5.486 83 1HD1 LEU 10 HD11 LEU 10 76.163 0.275 -8.010 84 2HD1 LEU 10 HD12 LEU 10 76.549 0.817 -6.378 85 3HD1 LEU 10 HD13 LEU 10 74.902 0.335 -6.780 86 1HD2 LEU 10 HD21 LEU 10 75.380 -2.112 -8.339 87 2HD2 LEU 10 HD22 LEU 10 74.281 -2.017 -6.963 88 3HD2 LEU 10 HD23 LEU 10 75.526 -3.266 -7.013 89 H VAL 11 HN VAL 11 78.431 -0.397 -3.501 90 HA VAL 11 HA VAL 11 77.894 -3.123 -2.366 91 HB VAL 11 HB VAL 11 79.000 -2.441 -0.322 92 1HG1 VAL 11 HG11 VAL 11 80.377 -3.196 -2.376 93 2HG1 VAL 11 HG12 VAL 11 81.254 -2.400 -1.070 94 3HG1 VAL 11 HG13 VAL 11 80.842 -1.501 -2.531 95 1HG2 VAL 11 HG21 VAL 11 79.164 0.244 -1.701 96 2HG2 VAL 11 HG22 VAL 11 80.200 -0.162 -0.336 97 3HG2 VAL 11 HG23 VAL 11 78.448 -0.136 -0.135 98 H LYS 12 HN LYS 12 76.213 -3.116 -0.729 99 HA LYS 12 HA LYS 12 74.460 -0.684 -0.903 100 1HB LYS 12 HB2 LYS 12 73.945 -3.584 -0.983 101 2HB LYS 12 HB1 LYS 12 72.904 -2.752 0.169 102 1HG LYS 12 HG2 LYS 12 72.051 -1.278 -1.515 103 2HG LYS 12 HG1 LYS 12 73.284 -1.784 -2.680 104 1HD LYS 12 HD2 LYS 12 72.295 -4.115 -2.547 105 2HD LYS 12 HD1 LYS 12 70.977 -3.419 -1.607 106 1HE LYS 12 HE2 LYS 12 71.775 -2.464 -4.359 107 2HE LYS 12 HE1 LYS 12 70.456 -3.589 -4.051 108 1HZ LYS 12 HZ1 LYS 12 70.679 -0.748 -3.296 109 2HZ LYS 12 HZ2 LYS 12 69.646 -1.789 -2.438 110 3HZ LYS 12 HZ3 LYS 12 69.415 -1.539 -4.103 111 H GLU 13 HN GLU 13 73.757 0.303 0.918 112 HA GLU 13 HA GLU 13 74.944 -0.635 3.515 113 1HB GLU 13 HB2 GLU 13 74.166 2.149 2.594 114 2HB GLU 13 HB1 GLU 13 74.730 1.749 4.216 115 1HG GLU 13 HG2 GLU 13 76.796 0.726 3.060 116 2HG GLU 13 HG1 GLU 13 76.261 1.586 1.618 117 H LYS 14 HN LYS 14 73.558 -0.200 5.418 118 HA LYS 14 HA LYS 14 70.678 -0.552 4.732 119 1HB LYS 14 HB2 LYS 14 72.029 -2.264 6.155 120 2HB LYS 14 HB1 LYS 14 71.895 -1.071 7.443 121 1HG LYS 14 HG2 LYS 14 70.000 -2.408 7.802 122 2HG LYS 14 HG1 LYS 14 69.345 -1.069 6.864 123 1HD LYS 14 HD2 LYS 14 69.353 -2.381 4.835 124 2HD LYS 14 HD1 LYS 14 70.285 -3.667 5.607 125 1HE LYS 14 HE2 LYS 14 67.546 -2.813 6.565 126 2HE LYS 14 HE1 LYS 14 67.803 -4.125 5.414 127 1HZ LYS 14 HZ1 LYS 14 68.202 -4.086 8.249 128 2HZ LYS 14 HZ2 LYS 14 69.566 -4.658 7.414 129 3HZ LYS 14 HZ3 LYS 14 68.057 -5.408 7.197 130 H MET 15 HN MET 15 69.448 1.156 4.984 131 HA MET 15 HA MET 15 70.298 3.563 6.283 132 1HB MET 15 HB2 MET 15 67.644 2.617 5.210 133 2HB MET 15 HB1 MET 15 67.880 4.226 5.880 134 1HG MET 15 HG2 MET 15 69.731 4.587 4.260 135 2HG MET 15 HG1 MET 15 69.362 3.020 3.542 136 1HE MET 15 HE1 MET 15 68.735 6.761 3.254 137 2HE MET 15 HE2 MET 15 67.960 6.293 4.766 138 3HE MET 15 HE3 MET 15 66.980 6.903 3.435 139 H LYS 16 HN LYS 16 69.429 4.530 8.145 140 HA LYS 16 HA LYS 16 69.499 3.710 10.564 141 1HB LYS 16 HB2 LYS 16 66.711 4.681 10.159 142 2HB LYS 16 HB1 LYS 16 67.952 5.252 11.267 143 1HG LYS 16 HG2 LYS 16 67.892 7.017 9.758 144 2HG LYS 16 HG1 LYS 16 69.160 6.031 9.045 145 1HD LYS 16 HD2 LYS 16 67.893 6.208 7.130 146 2HD LYS 16 HD1 LYS 16 66.937 4.915 7.857 147 1HE LYS 16 HE2 LYS 16 65.429 6.680 7.164 148 2HE LYS 16 HE1 LYS 16 65.493 6.678 8.926 149 1HZ LYS 16 HZ1 LYS 16 67.443 8.350 7.560 150 2HZ LYS 16 HZ2 LYS 16 66.564 8.644 8.983 151 3HZ LYS 16 HZ3 LYS 16 65.829 8.860 7.467 152 H GLY 17 HN GLY 17 66.227 3.042 9.319 153 1HA GLY 17 HA2 GLY 17 66.390 0.314 10.544 154 2HA GLY 17 HA1 GLY 17 65.041 1.380 10.931 155 H LYS 18 HN LYS 18 65.553 2.268 7.896 156 HA LYS 18 HA LYS 18 63.294 0.948 6.824 157 1HB LYS 18 HB2 LYS 18 65.440 1.531 4.822 158 2HB LYS 18 HB1 LYS 18 63.750 2.028 4.842 159 1HG LYS 18 HG2 LYS 18 65.900 3.218 6.590 160 2HG LYS 18 HG1 LYS 18 65.323 3.933 5.102 161 1HD LYS 18 HD2 LYS 18 63.290 3.237 7.210 162 2HD LYS 18 HD1 LYS 18 64.295 4.654 7.462 163 1HE LYS 18 HE2 LYS 18 63.607 5.513 5.228 164 2HE LYS 18 HE1 LYS 18 62.544 4.117 5.046 165 1HZ LYS 18 HZ1 LYS 18 61.123 4.871 6.645 166 2HZ LYS 18 HZ2 LYS 18 61.659 6.356 6.016 167 3HZ LYS 18 HZ3 LYS 18 62.314 5.757 7.464 168 H ASN 19 HN ASN 19 62.971 -1.147 6.271 169 HA ASN 19 HA ASN 19 65.055 -3.110 6.465 170 1HB ASN 19 HB2 ASN 19 62.491 -3.445 6.575 171 2HB ASN 19 HB1 ASN 19 62.550 -3.449 4.817 172 1HD2 ASN 19 HD21 ASN 19 62.576 -5.540 7.399 173 2HD2 ASN 19 HD22 ASN 19 63.440 -6.828 6.711 174 H LYS 20 HN LYS 20 64.486 -0.714 4.306 175 HA LYS 20 HA LYS 20 65.147 -2.006 1.812 176 1HB LYS 20 HB2 LYS 20 64.137 0.456 2.587 177 2HB LYS 20 HB1 LYS 20 65.740 0.879 2.018 178 1HG LYS 20 HG2 LYS 20 64.452 1.014 0.066 179 2HG LYS 20 HG1 LYS 20 65.150 -0.593 -0.041 180 1HD LYS 20 HD2 LYS 20 62.911 -1.077 -0.487 181 2HD LYS 20 HD1 LYS 20 62.954 -1.316 1.259 182 1HE LYS 20 HE2 LYS 20 62.081 0.945 1.620 183 2HE LYS 20 HE1 LYS 20 62.132 1.267 -0.113 184 1HZ LYS 20 HZ1 LYS 20 59.972 0.381 1.126 185 2HZ LYS 20 HZ2 LYS 20 60.681 -1.110 0.723 186 3HZ LYS 20 HZ3 LYS 20 60.315 0.017 -0.495 187 H LEU 21 HN LEU 21 67.100 -0.710 0.641 188 HA LEU 21 HA LEU 21 69.532 -0.776 2.371 189 1HB LEU 21 HB2 LEU 21 69.291 -2.159 -0.330 190 2HB LEU 21 HB1 LEU 21 70.768 -1.999 0.604 191 HG LEU 21 HG LEU 21 68.379 -3.277 1.916 192 1HD1 LEU 21 HD11 LEU 21 68.941 -5.459 1.050 193 2HD1 LEU 21 HD12 LEU 21 70.302 -4.800 0.146 194 3HD1 LEU 21 HD13 LEU 21 68.651 -4.388 -0.320 195 1HD2 LEU 21 HD21 LEU 21 70.714 -2.693 2.975 196 2HD2 LEU 21 HD22 LEU 21 71.262 -4.131 2.120 197 3HD2 LEU 21 HD23 LEU 21 69.979 -4.256 3.324 198 H VAL 22 HN VAL 22 71.309 0.460 1.390 199 HA VAL 22 HA VAL 22 70.335 2.416 -0.680 200 HB VAL 22 HB VAL 22 71.664 2.795 1.952 201 1HG1 VAL 22 HG11 VAL 22 72.565 5.062 1.090 202 2HG1 VAL 22 HG12 VAL 22 72.482 4.345 -0.518 203 3HG1 VAL 22 HG13 VAL 22 73.519 3.630 0.715 204 1HG2 VAL 22 HG21 VAL 22 70.040 4.718 0.271 205 2HG2 VAL 22 HG22 VAL 22 70.277 4.747 2.014 206 3HG2 VAL 22 HG23 VAL 22 69.299 3.477 1.278 207 HA PRO 23 HA PRO 23 73.856 0.488 -2.839 208 1HB PRO 23 HB2 PRO 23 73.426 2.611 -4.848 209 2HB PRO 23 HB1 PRO 23 73.379 0.875 -5.068 210 1HG PRO 23 HG2 PRO 23 71.138 2.524 -5.074 211 2HG PRO 23 HG1 PRO 23 71.095 0.786 -4.731 212 1HD PRO 23 HD2 PRO 23 70.774 3.054 -2.854 213 2HD PRO 23 HD1 PRO 23 70.310 1.346 -2.652 214 H ARG 24 HN ARG 24 76.031 1.179 -3.130 215 HA ARG 24 HA ARG 24 76.731 4.017 -2.734 216 1HB ARG 24 HB2 ARG 24 76.411 2.799 -0.426 217 2HB ARG 24 HB1 ARG 24 77.937 2.024 -0.817 218 1HG ARG 24 HG2 ARG 24 78.703 3.895 0.335 219 2HG ARG 24 HG1 ARG 24 78.732 4.504 -1.318 220 1HD ARG 24 HD2 ARG 24 77.632 6.191 -0.048 221 2HD ARG 24 HD1 ARG 24 76.336 5.331 -0.878 222 HE ARG 24 HE ARG 24 76.542 4.011 1.539 223 1HH1 ARG 24 HH21 ARG 24 76.205 7.280 0.502 224 2HH1 ARG 24 HH22 ARG 24 75.298 7.770 1.894 225 1HH2 ARG 24 HH11 ARG 24 75.365 4.633 3.370 226 2HH2 ARG 24 HH12 ARG 24 74.824 6.272 3.517 227 H LEU 25 HN LEU 25 78.844 4.436 -3.529 228 HA LEU 25 HA LEU 25 80.120 2.121 -4.939 229 1HB LEU 25 HB2 LEU 25 80.338 5.104 -5.382 230 2HB LEU 25 HB1 LEU 25 81.214 3.898 -6.308 231 HG LEU 25 HG LEU 25 78.192 3.955 -6.080 232 1HD1 LEU 25 HD11 LEU 25 79.934 5.094 -8.288 233 2HD1 LEU 25 HD12 LEU 25 79.042 6.051 -7.105 234 3HD1 LEU 25 HD13 LEU 25 78.171 5.055 -8.270 235 1HD2 LEU 25 HD21 LEU 25 80.186 2.444 -7.775 236 2HD2 LEU 25 HD22 LEU 25 78.535 2.688 -8.336 237 3HD2 LEU 25 HD23 LEU 25 78.834 1.817 -6.838 238 H LEU 26 HN LEU 26 82.152 1.506 -4.310 239 HA LEU 26 HA LEU 26 83.495 3.118 -2.169 240 1HB LEU 26 HB2 LEU 26 82.614 0.870 -1.499 241 2HB LEU 26 HB1 LEU 26 83.685 0.140 -2.688 242 HG LEU 26 HG LEU 26 85.629 1.233 -1.518 243 1HD1 LEU 26 HD11 LEU 26 83.393 2.143 0.281 244 2HD1 LEU 26 HD12 LEU 26 84.815 3.026 -0.270 245 3HD1 LEU 26 HD13 LEU 26 84.975 1.802 0.984 246 1HD2 LEU 26 HD21 LEU 26 83.873 -0.644 0.092 247 2HD2 LEU 26 HD22 LEU 26 85.583 -0.352 0.411 248 3HD2 LEU 26 HD23 LEU 26 85.085 -1.109 -1.102 249 H GLY 27 HN GLY 27 85.089 4.223 -3.124 250 1HA GLY 27 HA2 GLY 27 86.576 3.247 -5.418 251 2HA GLY 27 HA1 GLY 27 86.847 4.763 -4.585 252 H ILE 28 HN ILE 28 88.287 1.902 -5.261 253 HA ILE 28 HA ILE 28 89.786 1.767 -2.669 254 HB ILE 28 HB ILE 28 89.604 -0.187 -4.998 255 1HG1 ILE 28 HG12 ILE 28 88.835 -1.661 -2.957 256 2HG1 ILE 28 HG11 ILE 28 88.525 -0.119 -2.172 257 1HG2 ILE 28 HG21 ILE 28 91.363 -0.141 -2.541 258 2HG2 ILE 28 HG22 ILE 28 91.849 -0.323 -4.227 259 3HG2 ILE 28 HG23 ILE 28 91.001 -1.633 -3.407 260 1HD1 ILE 28 HD11 ILE 28 86.506 -0.176 -3.176 261 2HD1 ILE 28 HD12 ILE 28 86.990 -1.501 -4.227 262 3HD1 ILE 28 HD13 ILE 28 87.331 0.161 -4.695 263 H THR 29 HN THR 29 91.528 3.115 -2.737 264 HA THR 29 HA THR 29 92.890 3.604 -5.337 265 HB THR 29 HB THR 29 93.646 4.916 -2.725 266 HG1 THR 29 HG1 THR 29 91.523 5.298 -2.697 267 1HG2 THR 29 HG21 THR 29 95.027 5.421 -4.658 268 2HG2 THR 29 HG22 THR 29 94.048 6.836 -4.277 269 3HG2 THR 29 HG23 THR 29 93.600 5.793 -5.626 270 H LYS 30 HN LYS 30 95.373 3.727 -5.143 271 HA LYS 30 HA LYS 30 96.323 1.150 -4.212 272 1HB LYS 30 HB2 LYS 30 98.605 2.279 -4.887 273 2HB LYS 30 HB1 LYS 30 97.434 1.875 -6.144 274 1HG LYS 30 HG2 LYS 30 96.665 4.108 -6.310 275 2HG LYS 30 HG1 LYS 30 97.434 4.577 -4.793 276 1HD LYS 30 HD2 LYS 30 99.659 4.170 -5.835 277 2HD LYS 30 HD1 LYS 30 98.852 3.806 -7.361 278 1HE LYS 30 HE2 LYS 30 99.402 6.083 -7.585 279 2HE LYS 30 HE1 LYS 30 97.719 6.134 -7.057 280 1HZ LYS 30 HZ1 LYS 30 98.455 6.479 -4.800 281 2HZ LYS 30 HZ2 LYS 30 99.133 7.667 -5.808 282 3HZ LYS 30 HZ3 LYS 30 100.080 6.363 -5.268 283 H GLU 31 HN GLU 31 95.826 4.113 -2.700 284 HA GLU 31 HA GLU 31 97.568 3.294 -0.420 285 1HB GLU 31 HB2 GLU 31 97.404 6.070 -1.611 286 2HB GLU 31 HB1 GLU 31 98.268 5.648 -0.136 287 1HG GLU 31 HG2 GLU 31 99.504 3.918 -1.597 288 2HG GLU 31 HG1 GLU 31 98.870 4.823 -2.963 289 H CYS 32 HN CYS 32 94.485 3.862 -1.345 290 HA CYS 32 HA CYS 32 93.590 4.260 1.368 291 1HB CYS 32 HB2 CYS 32 92.395 6.551 0.570 292 2HB CYS 32 HB1 CYS 32 93.975 6.543 1.334 293 HG CYS 32 HG CYS 32 94.317 6.223 -1.639 294 H VAL 33 HN VAL 33 91.215 4.462 1.504 295 HA VAL 33 HA VAL 33 89.831 3.313 -0.907 296 HB VAL 33 HB VAL 33 89.269 2.983 2.058 297 1HG1 VAL 33 HG11 VAL 33 87.454 1.408 1.154 298 2HG1 VAL 33 HG12 VAL 33 87.672 2.226 -0.393 299 3HG1 VAL 33 HG13 VAL 33 87.134 3.136 1.018 300 1HG2 VAL 33 HG21 VAL 33 91.044 1.527 1.296 301 2HG2 VAL 33 HG22 VAL 33 90.119 1.074 -0.136 302 3HG2 VAL 33 HG23 VAL 33 89.582 0.554 1.461 303 H MET 34 HN MET 34 88.189 4.611 -1.728 304 HA MET 34 HA MET 34 87.544 7.081 -0.182 305 1HB MET 34 HB2 MET 34 86.810 6.644 -3.050 306 2HB MET 34 HB1 MET 34 87.124 8.156 -2.202 307 1HG MET 34 HG2 MET 34 89.530 7.241 -1.882 308 2HG MET 34 HG1 MET 34 89.107 6.096 -3.155 309 1HE MET 34 HE1 MET 34 90.844 9.159 -2.454 310 2HE MET 34 HE2 MET 34 91.251 9.565 -4.119 311 3HE MET 34 HE3 MET 34 91.509 7.924 -3.533 312 H ARG 35 HN ARG 35 85.467 7.645 0.379 313 HA ARG 35 HA ARG 35 83.410 5.497 0.009 314 1HB ARG 35 HB2 ARG 35 83.483 8.033 1.676 315 2HB ARG 35 HB1 ARG 35 82.029 7.066 1.485 316 1HG ARG 35 HG2 ARG 35 83.611 5.083 2.269 317 2HG ARG 35 HG1 ARG 35 84.581 6.398 2.934 318 1HD ARG 35 HD2 ARG 35 81.921 5.382 3.806 319 2HD ARG 35 HD1 ARG 35 83.196 6.138 4.757 320 HE ARG 35 HE ARG 35 82.201 8.231 3.259 321 1HH1 ARG 35 HH21 ARG 35 80.894 5.773 5.291 322 2HH1 ARG 35 HH22 ARG 35 79.572 6.744 5.848 323 1HH2 ARG 35 HH11 ARG 35 80.479 9.518 3.978 324 2HH2 ARG 35 HH12 ARG 35 79.337 8.864 5.102 325 H VAL 36 HN VAL 36 81.926 5.750 -1.627 326 HA VAL 36 HA VAL 36 81.459 8.509 -2.667 327 HB VAL 36 HB VAL 36 82.055 6.048 -4.315 328 1HG1 VAL 36 HG11 VAL 36 81.332 8.889 -5.098 329 2HG1 VAL 36 HG12 VAL 36 80.389 7.438 -5.435 330 3HG1 VAL 36 HG13 VAL 36 81.946 7.681 -6.224 331 1HG2 VAL 36 HG21 VAL 36 84.032 7.364 -5.033 332 2HG2 VAL 36 HG22 VAL 36 84.055 7.030 -3.301 333 3HG2 VAL 36 HG23 VAL 36 83.583 8.624 -3.887 334 H ASP 37 HN ASP 37 79.353 8.949 -2.792 335 HA ASP 37 HA ASP 37 77.348 6.949 -2.229 336 1HB ASP 37 HB2 ASP 37 77.216 9.488 -1.787 337 2HB ASP 37 HB1 ASP 37 76.825 9.645 -3.500 338 H GLU 38 HN GLU 38 75.818 6.065 -3.676 339 HA GLU 38 HA GLU 38 76.797 5.813 -6.454 340 1HB GLU 38 HB2 GLU 38 75.955 3.902 -4.921 341 2HB GLU 38 HB1 GLU 38 74.354 4.542 -5.240 342 1HG GLU 38 HG2 GLU 38 76.275 3.777 -7.442 343 2HG GLU 38 HG1 GLU 38 75.101 2.655 -6.754 344 H LYS 39 HN LYS 39 74.507 7.409 -4.567 345 HA LYS 39 HA LYS 39 72.569 8.018 -6.621 346 1HB LYS 39 HB2 LYS 39 72.088 7.960 -4.174 347 2HB LYS 39 HB1 LYS 39 73.110 9.375 -3.982 348 1HG LYS 39 HG2 LYS 39 71.631 10.580 -5.637 349 2HG LYS 39 HG1 LYS 39 70.543 9.195 -5.580 350 1HD LYS 39 HD2 LYS 39 71.404 10.761 -3.131 351 2HD LYS 39 HD1 LYS 39 69.919 11.085 -4.021 352 1HE LYS 39 HE2 LYS 39 69.400 8.563 -3.667 353 2HE LYS 39 HE1 LYS 39 70.659 8.630 -2.433 354 1HZ LYS 39 HZ1 LYS 39 69.215 9.543 -1.052 355 2HZ LYS 39 HZ2 LYS 39 68.000 9.464 -2.237 356 3HZ LYS 39 HZ3 LYS 39 68.980 10.846 -2.112 357 H THR 40 HN THR 40 75.044 9.920 -4.911 358 HA THR 40 HA THR 40 74.896 11.989 -7.057 359 HB THR 40 HB THR 40 76.234 13.351 -5.416 360 HG1 THR 40 HG1 THR 40 76.672 12.524 -3.479 361 1HG2 THR 40 HG21 THR 40 73.661 12.224 -4.290 362 2HG2 THR 40 HG22 THR 40 73.726 13.400 -5.602 363 3HG2 THR 40 HG23 THR 40 74.334 13.828 -4.003 364 H LYS 41 HN LYS 41 76.750 9.260 -6.386 365 HA LYS 41 HA LYS 41 78.950 8.659 -7.028 366 1HB LYS 41 HB2 LYS 41 78.327 10.786 -9.094 367 2HB LYS 41 HB1 LYS 41 79.665 9.641 -9.200 368 1HG LYS 41 HG2 LYS 41 78.207 7.784 -9.411 369 2HG LYS 41 HG1 LYS 41 76.814 8.705 -8.842 370 1HD LYS 41 HD2 LYS 41 76.684 8.426 -11.269 371 2HD LYS 41 HD1 LYS 41 76.950 10.123 -10.877 372 1HE LYS 41 HE2 LYS 41 79.233 10.029 -11.504 373 2HE LYS 41 HE1 LYS 41 79.257 8.266 -11.469 374 1HZ LYS 41 HZ1 LYS 41 78.047 8.132 -13.428 375 2HZ LYS 41 HZ2 LYS 41 79.112 9.423 -13.724 376 3HZ LYS 41 HZ3 LYS 41 77.490 9.730 -13.324 377 H GLU 42 HN GLU 42 78.454 11.136 -5.216 378 HA GLU 42 HA GLU 42 80.946 12.667 -5.736 379 1HB GLU 42 HB2 GLU 42 78.426 13.292 -4.587 380 2HB GLU 42 HB1 GLU 42 79.580 13.407 -3.267 381 1HG GLU 42 HG2 GLU 42 79.512 15.567 -4.272 382 2HG GLU 42 HG1 GLU 42 81.008 14.827 -4.832 383 H VAL 43 HN VAL 43 82.454 12.989 -3.865 384 HA VAL 43 HA VAL 43 82.945 10.399 -2.511 385 HB VAL 43 HB VAL 43 84.574 12.944 -2.742 386 1HG1 VAL 43 HG11 VAL 43 85.082 10.378 -1.228 387 2HG1 VAL 43 HG12 VAL 43 85.175 12.034 -0.628 388 3HG1 VAL 43 HG13 VAL 43 86.399 11.431 -1.746 389 1HG2 VAL 43 HG21 VAL 43 85.894 11.768 -4.300 390 2HG2 VAL 43 HG22 VAL 43 84.257 11.272 -4.719 391 3HG2 VAL 43 HG23 VAL 43 85.290 10.199 -3.774 392 H ILE 44 HN ILE 44 82.285 10.072 -0.451 393 HA ILE 44 HA ILE 44 81.455 12.424 1.170 394 HB ILE 44 HB ILE 44 80.948 9.519 1.797 395 1HG1 ILE 44 HG12 ILE 44 80.047 9.881 -0.421 396 2HG1 ILE 44 HG11 ILE 44 78.703 9.917 0.719 397 1HG2 ILE 44 HG21 ILE 44 79.129 10.424 3.129 398 2HG2 ILE 44 HG22 ILE 44 79.440 12.047 2.513 399 3HG2 ILE 44 HG23 ILE 44 80.617 11.265 3.566 400 1HD1 ILE 44 HD11 ILE 44 80.031 12.236 -0.685 401 2HD1 ILE 44 HD12 ILE 44 79.051 12.480 0.759 402 3HD1 ILE 44 HD13 ILE 44 78.329 11.784 -0.690 403 H GLN 45 HN GLN 45 83.853 9.870 1.057 404 HA GLN 45 HA GLN 45 85.359 11.137 3.173 405 1HB GLN 45 HB2 GLN 45 83.627 10.040 4.562 406 2HB GLN 45 HB1 GLN 45 84.074 8.483 3.871 407 1HG GLN 45 HG2 GLN 45 86.183 8.470 4.911 408 2HG GLN 45 HG1 GLN 45 86.164 10.215 5.185 409 1HE2 GLN 45 HE21 GLN 45 86.650 9.558 7.505 410 2HE2 GLN 45 HE22 GLN 45 85.346 9.147 8.508 411 H GLU 46 HN GLU 46 87.301 9.847 3.741 412 HA GLU 46 HA GLU 46 88.097 7.803 1.768 413 1HB GLU 46 HB2 GLU 46 89.432 10.459 2.244 414 2HB GLU 46 HB1 GLU 46 90.358 9.082 1.645 415 1HG GLU 46 HG2 GLU 46 88.996 8.903 -0.312 416 2HG GLU 46 HG1 GLU 46 87.805 10.035 0.331 417 H TRP 47 HN TRP 47 90.009 6.594 2.411 418 HA TRP 47 HA TRP 47 90.755 6.828 5.281 419 1HB TRP 47 HB2 TRP 47 89.737 4.339 3.902 420 2HB TRP 47 HB1 TRP 47 90.568 4.318 5.448 421 HD1 TRP 47 HD1 TRP 47 89.279 6.624 7.017 422 HE1 TRP 47 HE1 TRP 47 86.784 6.597 7.645 423 HE3 TRP 47 HE3 TRP 47 87.510 3.323 3.537 424 HZ2 TRP 47 HZ2 TRP 47 84.373 5.344 6.810 425 HZ3 TRP 47 HZ3 TRP 47 85.107 2.727 3.485 426 HH2 TRP 47 HH2 TRP 47 83.536 3.733 5.116 427 H SER 48 HN SER 48 92.807 5.815 5.755 428 HA SER 48 HA SER 48 94.598 5.748 3.407 429 1HB SER 48 HB2 SER 48 96.299 5.274 5.378 430 2HB SER 48 HB1 SER 48 95.640 6.891 5.154 431 HG SER 48 HG SER 48 94.049 5.235 6.649 432 H LEU 49 HN LEU 49 95.655 3.879 2.679 433 HA LEU 49 HA LEU 49 94.370 1.363 3.253 434 1HB LEU 49 HB2 LEU 49 96.410 2.391 1.405 435 2HB LEU 49 HB1 LEU 49 96.809 0.770 1.959 436 HG LEU 49 HG LEU 49 94.038 1.431 0.950 437 1HD1 LEU 49 HD11 LEU 49 96.521 0.738 -0.627 438 2HD1 LEU 49 HD12 LEU 49 95.371 2.041 -0.914 439 3HD1 LEU 49 HD13 LEU 49 94.905 0.374 -1.236 440 1HD2 LEU 49 HD21 LEU 49 94.019 -0.992 0.477 441 2HD2 LEU 49 HD22 LEU 49 94.379 -0.693 2.176 442 3HD2 LEU 49 HD23 LEU 49 95.675 -1.122 1.063 443 H THR 50 HN THR 50 97.242 2.975 4.463 444 HA THR 50 HA THR 50 98.368 0.623 5.711 445 HB THR 50 HB THR 50 99.775 2.274 6.954 446 HG1 THR 50 HG1 THR 50 98.017 3.866 6.945 447 1HG2 THR 50 HG21 THR 50 100.979 3.045 5.017 448 2HG2 THR 50 HG22 THR 50 99.531 2.947 4.014 449 3HG2 THR 50 HG23 THR 50 100.289 1.471 4.615 450 H ASN 51 HN ASN 51 95.606 2.372 6.383 451 HA ASN 51 HA ASN 51 95.790 2.053 9.331 452 1HB ASN 51 HB2 ASN 51 93.812 3.369 7.467 453 2HB ASN 51 HB1 ASN 51 93.377 3.026 9.141 454 1HD2 ASN 51 HD21 ASN 51 96.666 3.907 8.095 455 2HD2 ASN 51 HD22 ASN 51 96.701 5.399 8.903 456 H ILE 52 HN ILE 52 94.143 0.637 6.536 457 HA ILE 52 HA ILE 52 92.203 -0.909 7.907 458 HB ILE 52 HB ILE 52 93.765 -1.817 5.470 459 1HG1 ILE 52 HG12 ILE 52 91.385 0.044 5.707 460 2HG1 ILE 52 HG11 ILE 52 92.977 0.454 5.075 461 1HG2 ILE 52 HG21 ILE 52 91.800 -3.101 4.958 462 2HG2 ILE 52 HG22 ILE 52 90.875 -2.313 6.236 463 3HG2 ILE 52 HG23 ILE 52 92.180 -3.425 6.648 464 1HD1 ILE 52 HD11 ILE 52 90.852 -1.292 3.844 465 2HD1 ILE 52 HD12 ILE 52 92.541 -1.469 3.370 466 3HD1 ILE 52 HD13 ILE 52 91.713 0.069 3.127 467 H LYS 53 HN LYS 53 92.608 -2.276 9.573 468 HA LYS 53 HA LYS 53 95.242 -3.568 9.837 469 1HB LYS 53 HB2 LYS 53 94.224 -2.718 11.868 470 2HB LYS 53 HB1 LYS 53 92.747 -3.633 11.562 471 1HG LYS 53 HG2 LYS 53 93.852 -5.722 11.921 472 2HG LYS 53 HG1 LYS 53 95.444 -4.966 11.877 473 1HD LYS 53 HD2 LYS 53 95.083 -3.873 13.974 474 2HD LYS 53 HD1 LYS 53 93.365 -4.276 13.963 475 1HE LYS 53 HE2 LYS 53 95.528 -6.390 13.962 476 2HE LYS 53 HE1 LYS 53 94.830 -5.749 15.448 477 1HZ LYS 53 HZ1 LYS 53 93.520 -7.579 14.996 478 2HZ LYS 53 HZ2 LYS 53 93.530 -7.315 13.317 479 3HZ LYS 53 HZ3 LYS 53 92.605 -6.314 14.332 480 H ARG 54 HN ARG 54 91.835 -4.645 9.545 481 HA ARG 54 HA ARG 54 92.774 -7.052 8.087 482 1HB ARG 54 HB2 ARG 54 91.332 -8.508 9.561 483 2HB ARG 54 HB1 ARG 54 92.775 -7.882 10.355 484 1HG ARG 54 HG2 ARG 54 91.573 -6.444 11.730 485 2HG ARG 54 HG1 ARG 54 90.277 -6.228 10.559 486 1HD ARG 54 HD2 ARG 54 89.198 -8.203 11.185 487 2HD ARG 54 HD1 ARG 54 90.665 -8.920 11.850 488 HE ARG 54 HE ARG 54 90.156 -6.664 13.432 489 1HH1 ARG 54 HH21 ARG 54 88.504 -9.539 12.470 490 2HH1 ARG 54 HH22 ARG 54 87.557 -9.634 13.917 491 1HH2 ARG 54 HH11 ARG 54 88.932 -6.780 15.324 492 2HH2 ARG 54 HH12 ARG 54 87.799 -8.073 15.532 493 H TRP 55 HN TRP 55 90.688 -8.400 7.531 494 HA TRP 55 HA TRP 55 88.243 -6.826 7.297 495 1HB TRP 55 HB2 TRP 55 88.199 -7.020 4.778 496 2HB TRP 55 HB1 TRP 55 89.391 -5.877 5.398 497 HD1 TRP 55 HD1 TRP 55 89.134 -9.461 4.029 498 HE1 TRP 55 HE1 TRP 55 91.435 -10.138 3.074 499 HE3 TRP 55 HE3 TRP 55 91.890 -5.389 5.396 500 HZ2 TRP 55 HZ2 TRP 55 94.086 -9.082 2.902 501 HZ3 TRP 55 HZ3 TRP 55 94.296 -5.248 4.824 502 HH2 TRP 55 HH2 TRP 55 95.397 -7.090 3.579 503 H ALA 56 HN ALA 56 86.590 -8.115 5.989 504 HA ALA 56 HA ALA 56 87.142 -11.023 5.902 505 1HB ALA 56 HB1 ALA 56 86.361 -11.016 8.116 506 2HB ALA 56 HB2 ALA 56 84.873 -11.300 7.211 507 3HB ALA 56 HB3 ALA 56 85.240 -9.686 7.824 508 H ALA 57 HN ALA 57 86.353 -11.601 3.930 509 HA ALA 57 HA ALA 57 84.168 -9.973 2.717 510 1HB ALA 57 HB1 ALA 57 86.207 -11.901 1.603 511 2HB ALA 57 HB2 ALA 57 86.004 -10.188 1.239 512 3HB ALA 57 HB3 ALA 57 84.825 -11.358 0.650 513 H SER 58 HN SER 58 82.224 -10.767 3.411 514 HA SER 58 HA SER 58 81.813 -13.663 3.651 515 1HB SER 58 HB2 SER 58 80.480 -11.226 4.585 516 2HB SER 58 HB1 SER 58 79.330 -12.422 3.997 517 HG SER 58 HG SER 58 81.212 -13.661 5.418 518 HA PRO 59 HA PRO 59 80.094 -14.292 -0.351 519 1HB PRO 59 HB2 PRO 59 77.660 -15.610 0.350 520 2HB PRO 59 HB1 PRO 59 79.214 -16.381 0.007 521 1HG PRO 59 HG2 PRO 59 77.902 -15.928 2.623 522 2HG PRO 59 HG1 PRO 59 79.195 -17.064 2.205 523 1HD PRO 59 HD2 PRO 59 79.531 -14.695 3.679 524 2HD PRO 59 HD1 PRO 59 80.833 -15.597 2.878 525 H LYS 60 HN LYS 60 78.776 -12.168 1.836 526 HA LYS 60 HA LYS 60 76.951 -11.049 -0.227 527 1HB LYS 60 HB2 LYS 60 75.146 -10.804 1.418 528 2HB LYS 60 HB1 LYS 60 75.564 -12.497 1.187 529 1HG LYS 60 HG2 LYS 60 77.155 -12.189 3.195 530 2HG LYS 60 HG1 LYS 60 76.255 -10.708 3.502 531 1HD LYS 60 HD2 LYS 60 74.142 -12.119 3.424 532 2HD LYS 60 HD1 LYS 60 75.198 -13.533 3.434 533 1HE LYS 60 HE2 LYS 60 75.308 -11.357 5.540 534 2HE LYS 60 HE1 LYS 60 74.372 -12.841 5.720 535 1HZ LYS 60 HZ1 LYS 60 76.581 -13.009 6.721 536 2HZ LYS 60 HZ2 LYS 60 77.294 -12.718 5.207 537 3HZ LYS 60 HZ3 LYS 60 76.377 -14.126 5.461 538 H SER 61 HN SER 61 79.177 -10.555 2.326 539 HA SER 61 HA SER 61 78.810 -7.615 2.030 540 1HB SER 61 HB2 SER 61 77.473 -7.921 3.944 541 2HB SER 61 HB1 SER 61 78.547 -9.147 4.609 542 HG SER 61 HG SER 61 79.256 -6.428 4.188 543 H PHE 62 HN PHE 62 80.566 -6.373 2.986 544 HA PHE 62 HA PHE 62 83.155 -7.879 3.200 545 1HB PHE 62 HB2 PHE 62 83.009 -6.688 1.028 546 2HB PHE 62 HB1 PHE 62 82.671 -5.183 1.878 547 HD1 PHE 62 HD1 PHE 62 85.174 -7.988 2.034 548 HD2 PHE 62 HD2 PHE 62 84.493 -3.749 2.206 549 HE1 PHE 62 HE1 PHE 62 87.606 -7.609 2.310 550 HE2 PHE 62 HE2 PHE 62 86.931 -3.376 2.477 551 HZ PHE 62 HZ PHE 62 88.485 -5.303 2.531 552 H THR 63 HN THR 63 84.503 -7.164 4.896 553 HA THR 63 HA THR 63 83.542 -4.808 6.498 554 HB THR 63 HB THR 63 84.277 -7.576 7.486 555 HG1 THR 63 HG1 THR 63 82.081 -6.340 8.480 556 1HG2 THR 63 HG21 THR 63 85.369 -6.179 9.042 557 2HG2 THR 63 HG22 THR 63 83.789 -6.464 9.774 558 3HG2 THR 63 HG23 THR 63 84.114 -4.941 8.946 559 H LEU 64 HN LEU 64 85.189 -3.671 7.591 560 HA LEU 64 HA LEU 64 88.000 -4.566 7.220 561 1HB LEU 64 HB2 LEU 64 88.529 -2.104 6.584 562 2HB LEU 64 HB1 LEU 64 87.922 -3.181 5.334 563 HG LEU 64 HG LEU 64 85.758 -1.834 6.839 564 1HD1 LEU 64 HD11 LEU 64 87.127 0.063 6.986 565 2HD1 LEU 64 HD12 LEU 64 86.156 0.349 5.543 566 3HD1 LEU 64 HD13 LEU 64 87.828 -0.198 5.389 567 1HD2 LEU 64 HD21 LEU 64 85.719 -3.147 4.577 568 2HD2 LEU 64 HD22 LEU 64 86.283 -1.630 3.875 569 3HD2 LEU 64 HD23 LEU 64 84.739 -1.689 4.723 570 H ASP 65 HN ASP 65 89.476 -3.458 8.661 571 HA ASP 65 HA ASP 65 88.155 -1.993 10.927 572 1HB ASP 65 HB2 ASP 65 88.676 -4.422 11.477 573 2HB ASP 65 HB1 ASP 65 90.380 -4.020 11.261 574 H PHE 66 HN PHE 66 89.216 -0.151 11.495 575 HA PHE 66 HA PHE 66 91.805 0.439 10.132 576 1HB PHE 66 HB2 PHE 66 89.883 2.240 11.642 577 2HB PHE 66 HB1 PHE 66 91.345 2.776 10.816 578 HD1 PHE 66 HD1 PHE 66 91.542 1.878 8.289 579 HD2 PHE 66 HD2 PHE 66 87.869 2.410 10.454 580 HE1 PHE 66 HE1 PHE 66 90.301 2.027 6.152 581 HE2 PHE 66 HE2 PHE 66 86.632 2.551 8.310 582 HZ PHE 66 HZ PHE 66 87.852 2.347 6.165 583 H GLY 67 HN GLY 67 90.761 -0.855 12.969 584 1HA GLY 67 HA2 GLY 67 92.010 -1.340 14.924 585 2HA GLY 67 HA1 GLY 67 93.304 -0.308 14.309 586 H ASP 68 HN ASP 68 90.794 1.618 13.874 587 HA ASP 68 HA ASP 68 91.288 3.101 16.358 588 1HB ASP 68 HB2 ASP 68 89.263 3.843 14.261 589 2HB ASP 68 HB1 ASP 68 90.190 4.901 15.318 590 H TYR 69 HN TYR 69 90.320 1.736 17.943 591 HA TYR 69 HA TYR 69 87.858 0.488 17.958 592 1HB TYR 69 HB2 TYR 69 89.372 0.370 19.863 593 2HB TYR 69 HB1 TYR 69 89.129 2.085 20.198 594 HD1 TYR 69 HD1 TYR 69 87.329 2.807 21.548 595 HD2 TYR 69 HD2 TYR 69 87.325 -1.170 19.930 596 HE1 TYR 69 HE1 TYR 69 85.338 2.251 22.922 597 HE2 TYR 69 HE2 TYR 69 85.336 -1.728 21.303 598 HH TYR 69 HH TYR 69 84.396 -0.595 23.722 599 H GLN 70 HN GLN 70 88.455 3.912 18.715 600 HA GLN 70 HA GLN 70 85.853 4.713 19.349 601 1HB GLN 70 HB2 GLN 70 86.560 6.944 18.246 602 2HB GLN 70 HB1 GLN 70 87.535 6.354 19.579 603 1HG GLN 70 HG2 GLN 70 89.145 5.398 17.998 604 2HG GLN 70 HG1 GLN 70 88.167 5.966 16.652 605 1HE2 GLN 70 HE21 GLN 70 90.244 7.047 19.325 606 2HE2 GLN 70 HE22 GLN 70 90.476 8.621 18.733 607 H ASP 71 HN ASP 71 87.307 4.476 16.100 608 HA ASP 71 HA ASP 71 84.890 5.292 14.756 609 1HB ASP 71 HB2 ASP 71 87.322 5.327 13.884 610 2HB ASP 71 HB1 ASP 71 87.064 3.627 13.513 611 H GLY 72 HN GLY 72 86.408 2.146 15.392 612 1HA GLY 72 HA2 GLY 72 85.268 0.086 15.755 613 2HA GLY 72 HA1 GLY 72 83.765 0.858 15.255 614 H TYR 73 HN TYR 73 83.858 -1.421 14.095 615 HA TYR 73 HA TYR 73 85.509 -1.508 11.687 616 1HB TYR 73 HB2 TYR 73 83.093 -3.230 12.245 617 2HB TYR 73 HB1 TYR 73 84.508 -3.623 11.277 618 HD1 TYR 73 HD1 TYR 73 86.816 -3.481 12.559 619 HD2 TYR 73 HD2 TYR 73 83.002 -4.026 14.447 620 HE1 TYR 73 HE1 TYR 73 87.941 -4.439 14.553 621 HE2 TYR 73 HE2 TYR 73 84.122 -4.981 16.444 622 HH TYR 73 HH TYR 73 87.676 -5.188 16.630 623 H TYR 74 HN TYR 74 84.568 -1.604 9.516 624 HA TYR 74 HA TYR 74 81.975 -0.161 9.200 625 1HB TYR 74 HB2 TYR 74 83.847 1.424 8.847 626 2HB TYR 74 HB1 TYR 74 84.531 0.326 7.651 627 HD1 TYR 74 HD1 TYR 74 81.528 2.394 8.429 628 HD2 TYR 74 HD2 TYR 74 83.765 0.320 5.405 629 HE1 TYR 74 HE1 TYR 74 80.095 3.402 6.676 630 HE2 TYR 74 HE2 TYR 74 82.331 1.327 3.651 631 HH TYR 74 HH TYR 74 79.808 3.695 4.484 632 H SER 75 HN SER 75 80.765 -1.797 8.359 633 HA SER 75 HA SER 75 81.870 -3.336 6.046 634 1HB SER 75 HB2 SER 75 80.777 -5.278 6.810 635 2HB SER 75 HB1 SER 75 81.460 -4.578 8.272 636 HG SER 75 HG SER 75 79.133 -3.440 7.958 637 H VAL 76 HN VAL 76 80.259 -4.093 4.520 638 HA VAL 76 HA VAL 76 77.628 -2.745 4.516 639 HB VAL 76 HB VAL 76 78.041 -1.829 2.209 640 1HG1 VAL 76 HG11 VAL 76 79.108 0.161 2.978 641 2HG1 VAL 76 HG12 VAL 76 80.031 -0.716 4.199 642 3HG1 VAL 76 HG13 VAL 76 78.291 -0.505 4.392 643 1HG2 VAL 76 HG21 VAL 76 80.921 -2.511 2.895 644 2HG2 VAL 76 HG22 VAL 76 80.392 -1.603 1.482 645 3HG2 VAL 76 HG23 VAL 76 79.952 -3.300 1.652 646 H GLN 77 HN GLN 77 76.421 -3.491 2.427 647 HA GLN 77 HA GLN 77 76.720 -6.382 2.277 648 1HB GLN 77 HB2 GLN 77 74.837 -4.354 1.080 649 2HB GLN 77 HB1 GLN 77 74.813 -6.025 0.524 650 1HG GLN 77 HG2 GLN 77 74.697 -5.413 3.479 651 2HG GLN 77 HG1 GLN 77 73.239 -5.321 2.496 652 1HE2 GLN 77 HE21 GLN 77 74.551 -7.389 4.571 653 2HE2 GLN 77 HE22 GLN 77 74.202 -8.878 3.835 654 H THR 78 HN THR 78 77.560 -7.557 0.587 655 HA THR 78 HA THR 78 78.292 -6.224 -1.945 656 HB THR 78 HB THR 78 80.619 -6.862 -1.827 657 HG1 THR 78 HG1 THR 78 81.317 -7.750 0.283 658 1HG2 THR 78 HG21 THR 78 79.891 -4.728 -0.686 659 2HG2 THR 78 HG22 THR 78 81.404 -5.396 -0.084 660 3HG2 THR 78 HG23 THR 78 79.919 -5.610 0.840 661 H THR 79 HN THR 79 77.649 -7.612 -3.480 662 HA THR 79 HA THR 79 76.923 -10.345 -2.925 663 HB THR 79 HB THR 79 77.455 -9.010 -5.591 664 HG1 THR 79 HG1 THR 79 75.872 -7.930 -4.389 665 1HG2 THR 79 HG21 THR 79 76.031 -11.544 -4.771 666 2HG2 THR 79 HG22 THR 79 77.358 -11.366 -5.919 667 3HG2 THR 79 HG23 THR 79 75.751 -10.768 -6.330 668 H GLU 80 HN GLU 80 79.872 -8.784 -3.736 669 HA GLU 80 HA GLU 80 81.265 -11.381 -3.752 670 1HB GLU 80 HB2 GLU 80 82.545 -10.771 -5.808 671 2HB GLU 80 HB1 GLU 80 80.833 -11.053 -6.121 672 1HG GLU 80 HG2 GLU 80 80.708 -8.399 -5.673 673 2HG GLU 80 HG1 GLU 80 82.382 -8.483 -6.195 674 H GLY 81 HN GLY 81 81.353 -9.679 -1.699 675 1HA GLY 81 HA2 GLY 81 83.207 -7.556 -1.710 676 2HA GLY 81 HA1 GLY 81 82.881 -8.575 -0.310 677 H GLU 82 HN GLU 82 83.764 -10.803 -2.413 678 HA GLU 82 HA GLU 82 86.345 -11.254 -1.302 679 1HB GLU 82 HB2 GLU 82 85.240 -13.131 -2.256 680 2HB GLU 82 HB1 GLU 82 84.931 -12.280 -3.763 681 1HG GLU 82 HG2 GLU 82 87.174 -12.427 -4.449 682 2HG GLU 82 HG1 GLU 82 87.735 -12.830 -2.833 683 H GLN 83 HN GLN 83 85.482 -10.168 -4.570 684 HA GLN 83 HA GLN 83 88.052 -9.548 -5.507 685 1HB GLN 83 HB2 GLN 83 85.611 -7.858 -6.051 686 2HB GLN 83 HB1 GLN 83 87.006 -8.070 -7.095 687 1HG GLN 83 HG2 GLN 83 86.415 -10.343 -7.550 688 2HG GLN 83 HG1 GLN 83 85.194 -10.339 -6.291 689 1HE2 GLN 83 HE21 GLN 83 83.275 -10.530 -7.420 690 2HE2 GLN 83 HE22 GLN 83 82.783 -9.492 -8.666 691 H ILE 84 HN ILE 84 85.782 -7.478 -3.771 692 HA ILE 84 HA ILE 84 87.348 -5.142 -3.597 693 HB ILE 84 HB ILE 84 85.630 -6.276 -1.372 694 1HG1 ILE 84 HG12 ILE 84 84.860 -4.747 -3.878 695 2HG1 ILE 84 HG11 ILE 84 84.360 -6.381 -3.444 696 1HG2 ILE 84 HG21 ILE 84 86.077 -3.397 -2.193 697 2HG2 ILE 84 HG22 ILE 84 87.065 -4.204 -0.975 698 3HG2 ILE 84 HG23 ILE 84 85.335 -3.995 -0.708 699 1HD1 ILE 84 HD11 ILE 84 83.520 -3.765 -2.214 700 2HD1 ILE 84 HD12 ILE 84 83.397 -5.263 -1.293 701 3HD1 ILE 84 HD13 ILE 84 82.510 -5.083 -2.806 702 H ALA 85 HN ALA 85 87.566 -8.189 -1.891 703 HA ALA 85 HA ALA 85 89.612 -7.208 -0.013 704 1HB ALA 85 HB1 ALA 85 87.889 -9.044 0.482 705 2HB ALA 85 HB2 ALA 85 89.558 -9.396 0.923 706 3HB ALA 85 HB3 ALA 85 88.868 -10.090 -0.544 707 H GLN 86 HN GLN 86 89.422 -8.888 -3.084 708 HA GLN 86 HA GLN 86 92.217 -9.731 -3.044 709 1HB GLN 86 HB2 GLN 86 90.297 -10.835 -4.335 710 2HB GLN 86 HB1 GLN 86 90.452 -9.506 -5.470 711 1HG GLN 86 HG2 GLN 86 92.953 -10.114 -5.552 712 2HG GLN 86 HG1 GLN 86 92.474 -11.621 -4.787 713 1HE2 GLN 86 HE21 GLN 86 93.489 -12.167 -7.150 714 2HE2 GLN 86 HE22 GLN 86 92.316 -12.391 -8.351 715 H LEU 87 HN LEU 87 90.325 -7.102 -4.410 716 HA LEU 87 HA LEU 87 92.498 -5.958 -5.918 717 1HB LEU 87 HB2 LEU 87 90.170 -5.407 -6.465 718 2HB LEU 87 HB1 LEU 87 89.933 -4.730 -4.855 719 HG LEU 87 HG LEU 87 91.579 -2.979 -5.310 720 1HD1 LEU 87 HD11 LEU 87 91.986 -4.583 -7.834 721 2HD1 LEU 87 HD12 LEU 87 93.192 -3.894 -6.748 722 3HD1 LEU 87 HD13 LEU 87 92.298 -2.847 -7.846 723 1HD2 LEU 87 HD21 LEU 87 90.357 -1.907 -7.304 724 2HD2 LEU 87 HD22 LEU 87 89.364 -2.368 -5.922 725 3HD2 LEU 87 HD23 LEU 87 89.396 -3.384 -7.364 726 H ILE 88 HN ILE 88 91.125 -5.484 -2.725 727 HA ILE 88 HA ILE 88 92.919 -3.326 -1.993 728 HB ILE 88 HB ILE 88 91.038 -5.138 -0.469 729 1HG1 ILE 88 HG12 ILE 88 91.037 -2.140 -0.946 730 2HG1 ILE 88 HG11 ILE 88 90.157 -3.300 -1.938 731 1HG2 ILE 88 HG21 ILE 88 92.745 -4.701 1.145 732 2HG2 ILE 88 HG22 ILE 88 91.500 -3.497 1.469 733 3HG2 ILE 88 HG23 ILE 88 92.955 -3.046 0.585 734 1HD1 ILE 88 HD11 ILE 88 89.064 -4.094 0.246 735 2HD1 ILE 88 HD12 ILE 88 88.565 -2.516 -0.362 736 3HD1 ILE 88 HD13 ILE 88 89.714 -2.623 0.971 737 H ALA 89 HN ALA 89 92.749 -6.805 -1.222 738 HA ALA 89 HA ALA 89 95.142 -6.890 0.346 739 1HB ALA 89 HB1 ALA 89 93.901 -9.061 -1.375 740 2HB ALA 89 HB2 ALA 89 93.515 -8.743 0.317 741 3HB ALA 89 HB3 ALA 89 95.122 -9.318 -0.128 742 H GLY 90 HN GLY 90 94.604 -6.491 -3.014 743 1HA GLY 90 HA2 GLY 90 97.250 -7.499 -3.822 744 2HA GLY 90 HA1 GLY 90 96.049 -6.767 -4.883 745 H TYR 91 HN TYR 91 95.757 -4.398 -3.029 746 HA TYR 91 HA TYR 91 97.986 -2.874 -4.176 747 1HB TYR 91 HB2 TYR 91 95.535 -2.178 -2.564 748 2HB TYR 91 HB1 TYR 91 96.822 -0.992 -2.739 749 HD1 TYR 91 HD1 TYR 91 93.776 -1.889 -4.060 750 HD2 TYR 91 HD2 TYR 91 97.769 -0.962 -5.367 751 HE1 TYR 91 HE1 TYR 91 92.905 -1.236 -6.280 752 HE2 TYR 91 HE2 TYR 91 96.890 -0.330 -7.591 753 HH TYR 91 HH TYR 91 94.834 0.390 -8.615 754 H ILE 92 HN ILE 92 97.361 -4.531 -1.250 755 HA ILE 92 HA ILE 92 99.157 -2.869 0.377 756 HB ILE 92 HB ILE 92 97.839 -5.535 0.941 757 1HG1 ILE 92 HG12 ILE 92 97.135 -2.740 1.890 758 2HG1 ILE 92 HG11 ILE 92 96.320 -3.563 0.557 759 1HG2 ILE 92 HG21 ILE 92 99.424 -3.610 2.660 760 2HG2 ILE 92 HG22 ILE 92 99.759 -5.315 2.367 761 3HG2 ILE 92 HG23 ILE 92 98.366 -4.846 3.340 762 1HD1 ILE 92 HD11 ILE 92 95.576 -5.335 2.038 763 2HD1 ILE 92 HD12 ILE 92 95.123 -3.789 2.754 764 3HD1 ILE 92 HD13 ILE 92 96.519 -4.672 3.371 765 H ASP 93 HN ASP 93 99.340 -5.820 -1.501 766 HA ASP 93 HA ASP 93 101.933 -6.595 -0.359 767 1HB ASP 93 HB2 ASP 93 100.208 -7.675 -2.593 768 2HB ASP 93 HB1 ASP 93 101.810 -8.321 -2.244 769 H ILE 94 HN ILE 94 100.776 -4.654 -2.976 770 HA ILE 94 HA ILE 94 103.285 -4.826 -4.504 771 HB ILE 94 HB ILE 94 100.864 -3.041 -4.852 772 1HG1 ILE 94 HG12 ILE 94 101.654 -5.469 -6.476 773 2HG1 ILE 94 HG11 ILE 94 100.601 -5.597 -5.067 774 1HG2 ILE 94 HG21 ILE 94 103.334 -3.557 -6.520 775 2HG2 ILE 94 HG22 ILE 94 102.707 -2.006 -5.959 776 3HG2 ILE 94 HG23 ILE 94 101.851 -2.900 -7.215 777 1HD1 ILE 94 HD11 ILE 94 99.078 -3.912 -6.104 778 2HD1 ILE 94 HD12 ILE 94 99.231 -5.379 -7.070 779 3HD1 ILE 94 HD13 ILE 94 100.100 -3.920 -7.541 780 H ILE 95 HN ILE 95 101.882 -2.781 -2.059 781 HA ILE 95 HA ILE 95 103.765 -0.574 -2.580 782 HB ILE 95 HB ILE 95 102.809 0.344 -0.444 783 1HG1 ILE 95 HG12 ILE 95 101.098 -2.156 -0.635 784 2HG1 ILE 95 HG11 ILE 95 102.252 -1.782 0.642 785 1HG2 ILE 95 HG21 ILE 95 100.746 -0.519 -2.486 786 2HG2 ILE 95 HG22 ILE 95 101.877 0.810 -2.720 787 3HG2 ILE 95 HG23 ILE 95 100.665 0.900 -1.442 788 1HD1 ILE 95 HD11 ILE 95 100.867 0.384 0.988 789 2HD1 ILE 95 HD12 ILE 95 100.178 -1.132 1.567 790 3HD1 ILE 95 HD13 ILE 95 99.620 -0.435 0.047 791 H LEU 96 HN LEU 96 103.422 -3.303 -0.423 792 HA LEU 96 HA LEU 96 105.710 -2.512 1.238 793 1HB LEU 96 HB2 LEU 96 103.706 -4.731 1.164 794 2HB LEU 96 HB1 LEU 96 105.220 -5.046 2.014 795 HG LEU 96 HG LEU 96 103.694 -2.500 2.579 796 1HD1 LEU 96 HD11 LEU 96 103.056 -5.276 3.575 797 2HD1 LEU 96 HD12 LEU 96 101.952 -4.067 2.924 798 3HD1 LEU 96 HD13 LEU 96 102.656 -3.845 4.525 799 1HD2 LEU 96 HD21 LEU 96 104.742 -2.840 4.822 800 2HD2 LEU 96 HD22 LEU 96 105.943 -2.749 3.535 801 3HD2 LEU 96 HD23 LEU 96 105.502 -4.312 4.219 802 H LYS 97 HN LYS 97 105.115 -4.573 -1.526 803 HA LYS 97 HA LYS 97 107.510 -6.146 -1.325 804 1HB LYS 97 HB2 LYS 97 105.640 -6.821 -2.746 805 2HB LYS 97 HB1 LYS 97 105.869 -5.395 -3.751 806 1HG LYS 97 HG2 LYS 97 108.318 -7.054 -3.410 807 2HG LYS 97 HG1 LYS 97 107.010 -7.857 -4.264 808 1HD LYS 97 HD2 LYS 97 106.926 -6.168 -5.945 809 2HD LYS 97 HD1 LYS 97 107.955 -5.093 -5.004 810 1HE LYS 97 HE2 LYS 97 108.879 -7.801 -5.979 811 2HE LYS 97 HE1 LYS 97 109.122 -6.318 -6.903 812 1HZ LYS 97 HZ1 LYS 97 110.339 -7.158 -4.377 813 2HZ LYS 97 HZ2 LYS 97 110.058 -5.498 -4.609 814 3HZ LYS 97 HZ3 LYS 97 111.036 -6.358 -5.701 815 H LYS 98 HN LYS 98 106.778 -3.067 -2.943 816 HA LYS 98 HA LYS 98 109.352 -2.807 -4.202 817 1HB LYS 98 HB2 LYS 98 107.431 -0.619 -3.357 818 2HB LYS 98 HB1 LYS 98 108.709 -0.475 -4.558 819 1HG LYS 98 HG2 LYS 98 106.447 -2.474 -4.799 820 2HG LYS 98 HG1 LYS 98 106.364 -0.855 -5.488 821 1HD LYS 98 HD2 LYS 98 108.598 -1.437 -6.654 822 2HD LYS 98 HD1 LYS 98 108.239 -3.107 -6.216 823 1HE LYS 98 HE2 LYS 98 106.588 -1.265 -7.956 824 2HE LYS 98 HE1 LYS 98 107.361 -2.780 -8.423 825 1HZ LYS 98 HZ1 LYS 98 105.900 -3.967 -6.934 826 2HZ LYS 98 HZ2 LYS 98 104.980 -3.043 -8.024 827 3HZ LYS 98 HZ3 LYS 98 105.184 -2.518 -6.420 828 H LYS 99 HN LYS 99 108.088 -1.891 -1.034 829 HA LYS 99 HA LYS 99 110.281 -0.242 -0.254 830 1HB LYS 99 HB2 LYS 99 107.985 -0.469 0.861 831 2HB LYS 99 HB1 LYS 99 108.625 -1.924 1.618 832 1HG LYS 99 HG2 LYS 99 110.610 -0.426 2.348 833 2HG LYS 99 HG1 LYS 99 109.554 0.925 1.948 834 1HD LYS 99 HD2 LYS 99 109.015 0.648 4.195 835 2HD LYS 99 HD1 LYS 99 107.808 -0.404 3.461 836 1HE LYS 99 HE2 LYS 99 108.791 -1.677 5.226 837 2HE LYS 99 HE1 LYS 99 109.503 -2.305 3.741 838 1HZ LYS 99 HZ1 LYS 99 111.297 -1.976 5.168 839 2HZ LYS 99 HZ2 LYS 99 110.710 -0.485 5.732 840 3HZ LYS 99 HZ3 LYS 99 111.332 -0.614 4.157 841 H LYS 100 HN LYS 100 109.606 -3.706 0.271 842 HA LYS 100 HA LYS 100 112.115 -4.161 1.651 843 1HB LYS 100 HB2 LYS 100 109.888 -5.568 1.660 844 2HB LYS 100 HB1 LYS 100 110.584 -6.346 0.242 845 1HG LYS 100 HG2 LYS 100 111.926 -6.126 2.957 846 2HG LYS 100 HG1 LYS 100 111.143 -7.572 2.320 847 1HD LYS 100 HD2 LYS 100 112.756 -7.309 0.304 848 2HD LYS 100 HD1 LYS 100 113.664 -6.222 1.355 849 1HE LYS 100 HE2 LYS 100 114.646 -8.363 1.685 850 2HE LYS 100 HE1 LYS 100 113.617 -8.106 3.093 851 1HZ LYS 100 HZ1 LYS 100 113.469 -10.328 1.844 852 2HZ LYS 100 HZ2 LYS 100 112.563 -9.462 0.697 853 3HZ LYS 100 HZ3 LYS 100 112.028 -9.564 2.306 854 1H SER 1 HT1 SER 1 89.721 -18.894 9.007 855 2H SER 1 HT2 SER 1 89.024 -17.414 8.548 856 3H SER 1 HT3 SER 1 88.171 -18.481 9.558 857 HA SER 1 HA SER 1 89.003 -17.484 11.329 858 1HB SER 1 HB2 SER 1 91.683 -18.191 10.096 859 2HB SER 1 HB1 SER 1 91.430 -17.711 11.772 860 HG SER 1 HG SER 1 91.446 -19.964 11.596 861 H TRP 2 HN TRP 2 88.200 -15.622 9.572 862 HA TRP 2 HA TRP 2 88.521 -13.413 8.827 863 1HB TRP 2 HB2 TRP 2 90.023 -13.668 11.415 864 2HB TRP 2 HB1 TRP 2 90.270 -12.197 10.482 865 HD1 TRP 2 HD1 TRP 2 87.698 -14.040 12.547 866 HE1 TRP 2 HE1 TRP 2 85.673 -12.491 12.947 867 HE3 TRP 2 HE3 TRP 2 88.887 -10.213 9.391 868 HZ2 TRP 2 HZ2 TRP 2 84.695 -9.954 12.045 869 HZ3 TRP 2 HZ3 TRP 2 87.400 -8.243 9.181 870 HH2 TRP 2 HH2 TRP 2 85.313 -8.109 10.502 871 H VAL 3 HN VAL 3 90.606 -11.753 8.592 872 HA VAL 3 HA VAL 3 92.977 -13.135 7.576 873 HB VAL 3 HB VAL 3 91.664 -13.323 5.592 874 1HG1 VAL 3 HG11 VAL 3 90.919 -10.426 6.024 875 2HG1 VAL 3 HG12 VAL 3 89.854 -11.813 6.278 876 3HG1 VAL 3 HG13 VAL 3 90.419 -11.416 4.654 877 1HG2 VAL 3 HG21 VAL 3 94.003 -12.197 5.463 878 2HG2 VAL 3 HG22 VAL 3 93.110 -10.708 5.137 879 3HG2 VAL 3 HG23 VAL 3 92.954 -12.085 4.046 880 1HN PTR 4 HN PTR 4 94.736 -11.818 7.816 881 HA PTR 4 HA PTR 4 94.226 -8.990 8.690 882 1HB PTR 4 HB1 PTR 4 96.589 -9.287 9.685 883 2HB PTR 4 HB2 PTR 4 96.382 -11.004 9.355 884 HD1 PTR 4 HD1 PTR 4 93.890 -11.895 10.124 885 HD2 PTR 4 HD2 PTR 4 96.063 -8.607 11.855 886 HE1 PTR 4 HE1 PTR 4 92.622 -12.161 12.233 887 HE2 PTR 4 HE2 PTR 4 94.786 -8.876 13.962 888 H SER 5 HN SER 5 96.809 -8.018 8.420 889 HA SER 5 HA SER 5 97.599 -8.459 5.594 890 1HB SER 5 HB2 SER 5 97.276 -6.249 4.924 891 2HB SER 5 HB1 SER 5 95.917 -6.448 6.025 892 HG SER 5 HG SER 5 97.540 -5.695 7.668 893 HA PRO 6 HA PRO 6 101.623 -8.195 7.449 894 1HB PRO 6 HB2 PRO 6 102.951 -6.821 5.313 895 2HB PRO 6 HB1 PRO 6 102.895 -8.567 5.585 896 1HG PRO 6 HG2 PRO 6 101.446 -6.984 3.575 897 2HG PRO 6 HG1 PRO 6 101.632 -8.741 3.675 898 1HD PRO 6 HD2 PRO 6 99.266 -7.272 4.251 899 2HD PRO 6 HD1 PRO 6 99.562 -8.985 4.620 900 H LEU 7 HN LEU 7 100.063 -5.317 6.187 901 HA LEU 7 HA LEU 7 101.776 -3.273 6.961 902 1HB LEU 7 HB2 LEU 7 98.768 -3.390 7.308 903 2HB LEU 7 HB1 LEU 7 99.724 -1.915 7.402 904 HG LEU 7 HG LEU 7 99.920 -3.685 4.963 905 1HD1 LEU 7 HD11 LEU 7 98.166 -2.119 3.955 906 2HD1 LEU 7 HD12 LEU 7 97.765 -1.665 5.611 907 3HD1 LEU 7 HD13 LEU 7 97.562 -3.334 5.082 908 1HD2 LEU 7 HD21 LEU 7 100.385 -1.462 3.892 909 2HD2 LEU 7 HD22 LEU 7 101.551 -1.873 5.145 910 3HD2 LEU 7 HD23 LEU 7 100.269 -0.709 5.481 911 H HIS 8 HN HIS 8 102.826 -2.992 8.865 912 HA HIS 8 HA HIS 8 101.900 -4.249 11.321 913 1HB HIS 8 HB2 HIS 8 103.866 -3.094 12.330 914 2HB HIS 8 HB1 HIS 8 104.298 -4.017 10.892 915 HD1 HIS 8 HD1 HIS 8 104.311 -0.607 12.287 916 HD2 HIS 8 HD2 HIS 8 104.637 -2.332 8.506 917 HE1 HIS 8 HE1 HIS 8 105.207 1.196 10.751 Start of MODEL 6 1 1H LEU 1 HT1 LEU 1 84.489 15.696 -10.627 2 2H LEU 1 HT2 LEU 1 86.088 16.256 -10.755 3 3H LEU 1 HT3 LEU 1 85.504 15.678 -9.269 4 HA LEU 1 HA LEU 1 85.083 13.503 -10.605 5 1HB LEU 1 HB2 LEU 1 87.413 14.767 -12.086 6 2HB LEU 1 HB1 LEU 1 86.755 13.157 -12.344 7 HG LEU 1 HG LEU 1 85.885 14.550 -14.093 8 1HD1 LEU 1 HD11 LEU 1 84.304 12.985 -12.756 9 2HD1 LEU 1 HD12 LEU 1 83.584 14.151 -13.864 10 3HD1 LEU 1 HD13 LEU 1 83.600 14.478 -12.132 11 1HD2 LEU 1 HD21 LEU 1 85.137 16.717 -13.876 12 2HD2 LEU 1 HD22 LEU 1 86.223 16.698 -12.493 13 3HD2 LEU 1 HD23 LEU 1 84.491 16.467 -12.258 14 H LYS 2 HN LYS 2 85.789 14.098 -8.119 15 HA LYS 2 HA LYS 2 88.588 13.854 -7.538 16 1HB LYS 2 HB2 LYS 2 86.067 13.488 -5.924 17 2HB LYS 2 HB1 LYS 2 87.657 13.182 -5.227 18 1HG LYS 2 HG2 LYS 2 86.840 15.506 -4.820 19 2HG LYS 2 HG1 LYS 2 88.362 15.453 -5.701 20 1HD LYS 2 HD2 LYS 2 87.324 15.992 -7.759 21 2HD LYS 2 HD1 LYS 2 85.717 15.603 -7.144 22 1HE LYS 2 HE2 LYS 2 85.642 17.557 -5.796 23 2HE LYS 2 HE1 LYS 2 87.377 17.830 -5.958 24 1HZ LYS 2 HZ1 LYS 2 85.222 18.506 -7.765 25 2HZ LYS 2 HZ2 LYS 2 86.593 17.839 -8.514 26 3HZ LYS 2 HZ3 LYS 2 86.738 19.238 -7.561 27 H THR 3 HN THR 3 86.853 11.746 -9.170 28 HA THR 3 HA THR 3 88.175 9.352 -7.936 29 HB THR 3 HB THR 3 86.257 8.026 -8.276 30 HG1 THR 3 HG1 THR 3 84.646 8.582 -9.667 31 1HG2 THR 3 HG21 THR 3 84.492 9.141 -7.096 32 2HG2 THR 3 HG22 THR 3 85.056 10.724 -7.628 33 3HG2 THR 3 HG23 THR 3 86.009 9.789 -6.476 34 H TYR 4 HN TYR 4 89.364 10.894 -9.895 35 HA TYR 4 HA TYR 4 88.780 9.764 -12.534 36 1HB TYR 4 HB2 TYR 4 89.745 12.133 -11.889 37 2HB TYR 4 HB1 TYR 4 91.292 11.295 -11.883 38 HD1 TYR 4 HD1 TYR 4 88.832 12.888 -13.911 39 HD2 TYR 4 HD2 TYR 4 91.850 9.840 -13.969 40 HE1 TYR 4 HE1 TYR 4 88.912 13.020 -16.385 41 HE2 TYR 4 HE2 TYR 4 91.935 9.969 -16.445 42 HH TYR 4 HH TYR 4 89.914 12.306 -18.229 43 H GLY 5 HN GLY 5 89.337 7.640 -12.809 44 1HA GLY 5 HA2 GLY 5 90.873 5.873 -13.187 45 2HA GLY 5 HA1 GLY 5 92.154 6.884 -12.520 46 H VAL 6 HN VAL 6 89.058 5.928 -11.067 47 HA VAL 6 HA VAL 6 90.568 4.470 -8.920 48 HB VAL 6 HB VAL 6 88.102 6.187 -8.509 49 1HG1 VAL 6 HG11 VAL 6 88.360 4.365 -6.900 50 2HG1 VAL 6 HG12 VAL 6 88.721 5.904 -6.120 51 3HG1 VAL 6 HG13 VAL 6 90.033 4.830 -6.606 52 1HG2 VAL 6 HG21 VAL 6 91.047 6.756 -8.099 53 2HG2 VAL 6 HG22 VAL 6 89.780 7.671 -7.281 54 3HG2 VAL 6 HG23 VAL 6 89.888 7.694 -9.041 55 H SER 7 HN SER 7 89.644 2.519 -8.301 56 HA SER 7 HA SER 7 87.528 1.473 -10.050 57 1HB SER 7 HB2 SER 7 89.618 0.217 -9.186 58 2HB SER 7 HB1 SER 7 88.710 0.017 -7.694 59 HG SER 7 HG SER 7 88.410 -1.712 -9.198 60 H PHE 8 HN PHE 8 85.600 2.352 -9.507 61 HA PHE 8 HA PHE 8 84.712 2.543 -6.692 62 1HB PHE 8 HB2 PHE 8 82.558 3.354 -7.970 63 2HB PHE 8 HB1 PHE 8 83.977 4.394 -7.918 64 HD1 PHE 8 HD1 PHE 8 85.380 4.725 -9.875 65 HD2 PHE 8 HD2 PHE 8 81.957 2.134 -10.015 66 HE1 PHE 8 HE1 PHE 8 85.509 4.690 -12.351 67 HE2 PHE 8 HE2 PHE 8 82.087 2.098 -12.493 68 HZ PHE 8 HZ PHE 8 83.863 3.376 -13.660 69 H PHE 9 HN PHE 9 83.737 0.834 -5.728 70 HA PHE 9 HA PHE 9 82.469 -1.287 -7.422 71 1HB PHE 9 HB2 PHE 9 83.631 -1.239 -4.633 72 2HB PHE 9 HB1 PHE 9 82.527 -2.523 -5.122 73 HD1 PHE 9 HD1 PHE 9 85.700 -0.807 -6.104 74 HD2 PHE 9 HD2 PHE 9 83.313 -4.367 -6.369 75 HE1 PHE 9 HE1 PHE 9 87.576 -1.983 -7.219 76 HE2 PHE 9 HE2 PHE 9 85.191 -5.546 -7.481 77 HZ PHE 9 HZ PHE 9 87.322 -4.352 -7.906 78 H LEU 10 HN LEU 10 80.256 -1.607 -7.277 79 HA LEU 10 HA LEU 10 78.705 0.305 -5.665 80 1HB LEU 10 HB2 LEU 10 77.913 -0.193 -7.913 81 2HB LEU 10 HB1 LEU 10 77.843 -1.911 -7.544 82 HG LEU 10 HG LEU 10 76.291 -0.378 -5.560 83 1HD1 LEU 10 HD11 LEU 10 76.055 1.160 -7.546 84 2HD1 LEU 10 HD12 LEU 10 74.539 0.471 -6.966 85 3HD1 LEU 10 HD13 LEU 10 75.307 -0.179 -8.416 86 1HD2 LEU 10 HD21 LEU 10 74.625 -2.020 -6.018 87 2HD2 LEU 10 HD22 LEU 10 76.163 -2.862 -6.192 88 3HD2 LEU 10 HD23 LEU 10 75.275 -2.348 -7.624 89 H VAL 11 HN VAL 11 78.580 -0.132 -3.580 90 HA VAL 11 HA VAL 11 77.895 -2.924 -2.713 91 HB VAL 11 HB VAL 11 78.979 -2.401 -0.593 92 1HG1 VAL 11 HG11 VAL 11 80.331 -3.154 -2.653 93 2HG1 VAL 11 HG12 VAL 11 81.245 -2.437 -1.325 94 3HG1 VAL 11 HG13 VAL 11 80.878 -1.480 -2.761 95 1HG2 VAL 11 HG21 VAL 11 78.588 -0.092 -0.261 96 2HG2 VAL 11 HG22 VAL 11 79.243 0.339 -1.840 97 3HG2 VAL 11 HG23 VAL 11 80.326 -0.172 -0.548 98 H LYS 12 HN LYS 12 76.259 -3.019 -1.043 99 HA LYS 12 HA LYS 12 74.547 -0.554 -0.949 100 1HB LYS 12 HB2 LYS 12 73.974 -3.431 -1.259 101 2HB LYS 12 HB1 LYS 12 72.992 -2.680 -0.005 102 1HG LYS 12 HG2 LYS 12 72.146 -1.032 -1.545 103 2HG LYS 12 HG1 LYS 12 73.286 -1.539 -2.801 104 1HD LYS 12 HD2 LYS 12 72.208 -3.802 -2.778 105 2HD LYS 12 HD1 LYS 12 71.008 -3.173 -1.645 106 1HE LYS 12 HE2 LYS 12 70.198 -3.106 -3.998 107 2HE LYS 12 HE1 LYS 12 70.297 -1.497 -3.282 108 1HZ LYS 12 HZ1 LYS 12 72.491 -2.674 -4.887 109 2HZ LYS 12 HZ2 LYS 12 72.291 -1.052 -4.420 110 3HZ LYS 12 HZ3 LYS 12 71.254 -1.741 -5.576 111 H GLU 13 HN GLU 13 73.933 0.250 1.014 112 HA GLU 13 HA GLU 13 75.201 -0.996 3.440 113 1HB GLU 13 HB2 GLU 13 74.545 1.934 3.102 114 2HB GLU 13 HB1 GLU 13 75.591 1.183 4.307 115 1HG GLU 13 HG2 GLU 13 77.034 0.396 2.345 116 2HG GLU 13 HG1 GLU 13 76.103 1.511 1.350 117 H LYS 14 HN LYS 14 74.005 -0.598 5.451 118 HA LYS 14 HA LYS 14 71.048 -0.523 4.977 119 1HB LYS 14 HB2 LYS 14 72.350 -1.518 7.518 120 2HB LYS 14 HB1 LYS 14 70.778 -1.931 6.849 121 1HG LYS 14 HG2 LYS 14 73.363 -2.696 5.459 122 2HG LYS 14 HG1 LYS 14 72.624 -3.715 6.680 123 1HD LYS 14 HD2 LYS 14 70.945 -2.738 4.376 124 2HD LYS 14 HD1 LYS 14 72.044 -4.091 4.135 125 1HE LYS 14 HE2 LYS 14 69.847 -3.947 6.227 126 2HE LYS 14 HE1 LYS 14 69.831 -4.933 4.770 127 1HZ LYS 14 HZ1 LYS 14 70.712 -6.485 6.085 128 2HZ LYS 14 HZ2 LYS 14 71.200 -5.367 7.268 129 3HZ LYS 14 HZ3 LYS 14 72.165 -5.631 5.895 130 H MET 15 HN MET 15 70.617 1.679 5.175 131 HA MET 15 HA MET 15 71.870 3.286 7.221 132 1HB MET 15 HB2 MET 15 69.801 3.732 5.136 133 2HB MET 15 HB1 MET 15 69.669 4.774 6.554 134 1HG MET 15 HG2 MET 15 72.205 4.400 4.928 135 2HG MET 15 HG1 MET 15 71.085 5.748 4.732 136 1HE MET 15 HE1 MET 15 71.163 7.830 5.965 137 2HE MET 15 HE2 MET 15 72.748 7.630 5.224 138 3HE MET 15 HE3 MET 15 72.624 8.263 6.863 139 H LYS 16 HN LYS 16 70.869 4.177 9.039 140 HA LYS 16 HA LYS 16 69.572 2.378 10.746 141 1HB LYS 16 HB2 LYS 16 68.915 4.920 11.763 142 2HB LYS 16 HB1 LYS 16 70.338 3.977 12.157 143 1HG LYS 16 HG2 LYS 16 70.998 6.209 11.443 144 2HG LYS 16 HG1 LYS 16 71.553 5.020 10.280 145 1HD LYS 16 HD2 LYS 16 70.623 6.568 8.805 146 2HD LYS 16 HD1 LYS 16 69.185 5.605 9.105 147 1HE LYS 16 HE2 LYS 16 68.677 7.992 9.352 148 2HE LYS 16 HE1 LYS 16 68.515 7.170 10.903 149 1HZ LYS 16 HZ1 LYS 16 70.006 9.381 10.452 150 2HZ LYS 16 HZ2 LYS 16 71.170 8.145 10.391 151 3HZ LYS 16 HZ3 LYS 16 70.193 8.329 11.769 152 H GLY 17 HN GLY 17 67.875 5.393 10.366 153 1HA GLY 17 HA2 GLY 17 65.333 4.747 10.864 154 2HA GLY 17 HA1 GLY 17 65.695 5.878 9.569 155 H LYS 18 HN LYS 18 66.945 3.731 7.900 156 HA LYS 18 HA LYS 18 64.371 2.409 7.039 157 1HB LYS 18 HB2 LYS 18 65.847 2.191 4.809 158 2HB LYS 18 HB1 LYS 18 64.941 3.656 5.170 159 1HG LYS 18 HG2 LYS 18 67.774 3.269 6.094 160 2HG LYS 18 HG1 LYS 18 67.407 3.928 4.507 161 1HD LYS 18 HD2 LYS 18 65.793 5.442 6.282 162 2HD LYS 18 HD1 LYS 18 67.321 5.261 7.126 163 1HE LYS 18 HE2 LYS 18 67.578 7.231 5.843 164 2HE LYS 18 HE1 LYS 18 68.435 5.994 4.924 165 1HZ LYS 18 HZ1 LYS 18 65.587 6.577 4.413 166 2HZ LYS 18 HZ2 LYS 18 66.720 5.828 3.391 167 3HZ LYS 18 HZ3 LYS 18 66.810 7.499 3.685 168 H ASN 19 HN ASN 19 64.290 0.264 7.306 169 HA ASN 19 HA ASN 19 66.680 -1.276 7.994 170 1HB ASN 19 HB2 ASN 19 65.016 -3.220 7.676 171 2HB ASN 19 HB1 ASN 19 64.646 -2.075 8.962 172 1HD2 ASN 19 HD21 ASN 19 64.184 -0.667 5.882 173 2HD2 ASN 19 HD22 ASN 19 62.500 -0.863 5.785 174 H LYS 20 HN LYS 20 65.481 0.096 5.338 175 HA LYS 20 HA LYS 20 65.771 -1.916 3.310 176 1HB LYS 20 HB2 LYS 20 64.755 0.637 3.422 177 2HB LYS 20 HB1 LYS 20 66.229 0.900 2.508 178 1HG LYS 20 HG2 LYS 20 64.680 0.391 0.827 179 2HG LYS 20 HG1 LYS 20 65.450 -1.161 1.117 180 1HD LYS 20 HD2 LYS 20 63.214 -1.806 1.208 181 2HD LYS 20 HD1 LYS 20 63.497 -1.439 2.909 182 1HE LYS 20 HE2 LYS 20 62.624 0.873 2.508 183 2HE LYS 20 HE1 LYS 20 62.249 0.408 0.850 184 1HZ LYS 20 HZ1 LYS 20 61.198 -1.550 2.523 185 2HZ LYS 20 HZ2 LYS 20 60.350 -0.425 1.574 186 3HZ LYS 20 HZ3 LYS 20 60.750 -0.053 3.183 187 H LEU 21 HN LEU 21 67.391 -1.026 1.418 188 HA LEU 21 HA LEU 21 70.129 -1.064 2.649 189 1HB LEU 21 HB2 LEU 21 69.704 -1.819 -0.236 190 2HB LEU 21 HB1 LEU 21 70.887 -2.421 0.919 191 HG LEU 21 HG LEU 21 67.923 -3.063 1.022 192 1HD1 LEU 21 HD11 LEU 21 70.281 -4.674 0.012 193 2HD1 LEU 21 HD12 LEU 21 68.934 -4.069 -0.953 194 3HD1 LEU 21 HD13 LEU 21 68.658 -5.317 0.261 195 1HD2 LEU 21 HD21 LEU 21 70.339 -4.097 2.533 196 2HD2 LEU 21 HD22 LEU 21 68.739 -4.834 2.604 197 3HD2 LEU 21 HD23 LEU 21 68.983 -3.197 3.207 198 H VAL 22 HN VAL 22 71.751 0.231 1.516 199 HA VAL 22 HA VAL 22 70.574 2.460 -0.121 200 HB VAL 22 HB VAL 22 72.498 2.590 2.195 201 1HG1 VAL 22 HG11 VAL 22 73.465 4.055 0.579 202 2HG1 VAL 22 HG12 VAL 22 72.497 5.091 1.628 203 3HG1 VAL 22 HG13 VAL 22 71.884 4.623 0.042 204 1HG2 VAL 22 HG21 VAL 22 70.081 2.605 2.705 205 2HG2 VAL 22 HG22 VAL 22 69.858 3.956 1.594 206 3HG2 VAL 22 HG23 VAL 22 70.815 4.166 3.057 207 HA PRO 23 HA PRO 23 73.914 0.781 -2.768 208 1HB PRO 23 HB2 PRO 23 73.277 3.087 -4.505 209 2HB PRO 23 HB1 PRO 23 73.245 1.378 -4.899 210 1HG PRO 23 HG2 PRO 23 70.981 2.949 -4.549 211 2HG PRO 23 HG1 PRO 23 71.006 1.188 -4.357 212 1HD PRO 23 HD2 PRO 23 70.821 3.279 -2.266 213 2HD PRO 23 HD1 PRO 23 70.394 1.553 -2.176 214 H ARG 24 HN ARG 24 76.059 1.452 -3.070 215 HA ARG 24 HA ARG 24 76.831 4.260 -2.598 216 1HB ARG 24 HB2 ARG 24 76.610 3.060 -0.322 217 2HB ARG 24 HB1 ARG 24 78.001 2.107 -0.821 218 1HG ARG 24 HG2 ARG 24 79.072 3.841 0.301 219 2HG ARG 24 HG1 ARG 24 79.063 4.489 -1.338 220 1HD ARG 24 HD2 ARG 24 78.252 6.278 -0.035 221 2HD ARG 24 HD1 ARG 24 76.778 5.543 -0.667 222 HE ARG 24 HE ARG 24 77.163 4.243 1.741 223 1HH1 ARG 24 HH21 ARG 24 77.029 7.521 0.672 224 2HH1 ARG 24 HH22 ARG 24 76.372 8.118 2.159 225 1HH2 ARG 24 HH11 ARG 24 76.305 5.008 3.690 226 2HH2 ARG 24 HH12 ARG 24 75.961 6.696 3.866 227 H LEU 25 HN LEU 25 78.887 4.686 -3.506 228 HA LEU 25 HA LEU 25 80.091 2.415 -5.043 229 1HB LEU 25 HB2 LEU 25 80.256 5.419 -5.359 230 2HB LEU 25 HB1 LEU 25 81.214 4.300 -6.316 231 HG LEU 25 HG LEU 25 78.191 4.190 -6.156 232 1HD1 LEU 25 HD11 LEU 25 79.862 5.484 -8.332 233 2HD1 LEU 25 HD12 LEU 25 79.026 6.389 -7.072 234 3HD1 LEU 25 HD13 LEU 25 78.103 5.439 -8.235 235 1HD2 LEU 25 HD21 LEU 25 78.653 3.077 -8.479 236 2HD2 LEU 25 HD22 LEU 25 78.936 2.140 -7.023 237 3HD2 LEU 25 HD23 LEU 25 80.292 2.869 -7.870 238 H LEU 26 HN LEU 26 82.246 1.866 -4.639 239 HA LEU 26 HA LEU 26 83.639 3.364 -2.443 240 1HB LEU 26 HB2 LEU 26 82.640 1.153 -1.753 241 2HB LEU 26 HB1 LEU 26 83.697 0.374 -2.923 242 HG LEU 26 HG LEU 26 85.644 1.540 -1.714 243 1HD1 LEU 26 HD11 LEU 26 85.057 1.926 0.772 244 2HD1 LEU 26 HD12 LEU 26 83.385 2.054 0.229 245 3HD1 LEU 26 HD13 LEU 26 84.597 3.186 -0.367 246 1HD2 LEU 26 HD21 LEU 26 85.075 -0.884 -1.518 247 2HD2 LEU 26 HD22 LEU 26 84.033 -0.496 -0.149 248 3HD2 LEU 26 HD23 LEU 26 85.772 -0.228 -0.036 249 H GLY 27 HN GLY 27 85.276 4.372 -3.433 250 1HA GLY 27 HA2 GLY 27 86.651 3.308 -5.751 251 2HA GLY 27 HA1 GLY 27 87.033 4.805 -4.928 252 H ILE 28 HN ILE 28 88.409 2.028 -5.739 253 HA ILE 28 HA ILE 28 89.938 1.708 -3.173 254 HB ILE 28 HB ILE 28 89.861 -0.221 -5.516 255 1HG1 ILE 28 HG12 ILE 28 87.601 -0.114 -4.671 256 2HG1 ILE 28 HG11 ILE 28 88.336 -1.581 -4.029 257 1HG2 ILE 28 HG21 ILE 28 90.865 -0.365 -2.668 258 2HG2 ILE 28 HG22 ILE 28 91.782 -0.590 -4.157 259 3HG2 ILE 28 HG23 ILE 28 90.602 -1.801 -3.656 260 1HD1 ILE 28 HD11 ILE 28 88.970 -0.063 -1.991 261 2HD1 ILE 28 HD12 ILE 28 87.321 -0.660 -2.137 262 3HD1 ILE 28 HD13 ILE 28 87.705 0.988 -2.614 263 H THR 29 HN THR 29 92.009 2.456 -3.217 264 HA THR 29 HA THR 29 93.407 2.676 -5.860 265 HB THR 29 HB THR 29 94.366 4.796 -4.207 266 HG1 THR 29 HG1 THR 29 91.557 4.491 -4.161 267 1HG2 THR 29 HG21 THR 29 94.123 4.809 -6.683 268 2HG2 THR 29 HG22 THR 29 93.413 6.239 -5.935 269 3HG2 THR 29 HG23 THR 29 92.374 4.927 -6.492 270 H LYS 30 HN LYS 30 95.824 2.870 -5.500 271 HA LYS 30 HA LYS 30 96.668 0.774 -3.689 272 1HB LYS 30 HB2 LYS 30 98.905 1.209 -4.566 273 2HB LYS 30 HB1 LYS 30 97.747 1.211 -5.896 274 1HG LYS 30 HG2 LYS 30 97.586 3.739 -5.576 275 2HG LYS 30 HG1 LYS 30 98.987 3.600 -4.522 276 1HD LYS 30 HD2 LYS 30 99.852 4.139 -6.680 277 2HD LYS 30 HD1 LYS 30 100.182 2.426 -6.435 278 1HE LYS 30 HE2 LYS 30 98.566 1.757 -7.987 279 2HE LYS 30 HE1 LYS 30 97.628 3.240 -7.814 280 1HZ LYS 30 HZ1 LYS 30 100.253 2.935 -9.160 281 2HZ LYS 30 HZ2 LYS 30 99.498 4.429 -8.870 282 3HZ LYS 30 HZ3 LYS 30 98.764 3.287 -9.892 283 H GLU 31 HN GLU 31 96.238 4.144 -3.387 284 HA GLU 31 HA GLU 31 98.107 4.311 -1.067 285 1HB GLU 31 HB2 GLU 31 96.666 6.448 -2.649 286 2HB GLU 31 HB1 GLU 31 97.691 6.766 -1.255 287 1HG GLU 31 HG2 GLU 31 99.473 5.388 -2.609 288 2HG GLU 31 HG1 GLU 31 98.453 5.780 -3.986 289 H CYS 32 HN CYS 32 94.676 4.267 -1.836 290 HA CYS 32 HA CYS 32 94.006 4.032 0.965 291 1HB CYS 32 HB2 CYS 32 92.580 6.341 0.712 292 2HB CYS 32 HB1 CYS 32 94.197 6.297 1.394 293 HG CYS 32 HG CYS 32 94.460 6.613 -1.568 294 H VAL 33 HN VAL 33 91.595 4.120 1.302 295 HA VAL 33 HA VAL 33 90.162 3.091 -1.122 296 HB VAL 33 HB VAL 33 89.594 2.854 1.856 297 1HG1 VAL 33 HG11 VAL 33 87.762 1.267 0.996 298 2HG1 VAL 33 HG12 VAL 33 87.973 2.060 -0.563 299 3HG1 VAL 33 HG13 VAL 33 87.456 2.996 0.838 300 1HG2 VAL 33 HG21 VAL 33 91.307 1.319 1.246 301 2HG2 VAL 33 HG22 VAL 33 90.525 0.934 -0.288 302 3HG2 VAL 33 HG23 VAL 33 89.819 0.372 1.228 303 H MET 34 HN MET 34 88.524 4.418 -1.974 304 HA MET 34 HA MET 34 87.959 6.930 -0.461 305 1HB MET 34 HB2 MET 34 87.084 6.498 -3.288 306 2HB MET 34 HB1 MET 34 87.567 7.988 -2.482 307 1HG MET 34 HG2 MET 34 89.911 6.854 -2.299 308 2HG MET 34 HG1 MET 34 89.307 5.783 -3.564 309 1HE MET 34 HE1 MET 34 91.749 7.216 -3.887 310 2HE MET 34 HE2 MET 34 91.739 8.289 -5.285 311 3HE MET 34 HE3 MET 34 91.154 6.635 -5.448 312 H ARG 35 HN ARG 35 85.912 7.534 0.155 313 HA ARG 35 HA ARG 35 83.792 5.434 -0.133 314 1HB ARG 35 HB2 ARG 35 84.010 7.972 1.513 315 2HB ARG 35 HB1 ARG 35 82.497 7.095 1.353 316 1HG ARG 35 HG2 ARG 35 84.038 5.027 2.110 317 2HG ARG 35 HG1 ARG 35 85.006 6.323 2.814 318 1HD ARG 35 HD2 ARG 35 82.248 5.404 3.537 319 2HD ARG 35 HD1 ARG 35 83.555 5.947 4.584 320 HE ARG 35 HE ARG 35 82.833 8.237 3.210 321 1HH1 ARG 35 HH21 ARG 35 81.210 5.810 5.047 322 2HH1 ARG 35 HH22 ARG 35 79.992 6.887 5.644 323 1HH2 ARG 35 HH11 ARG 35 81.253 9.657 3.980 324 2HH2 ARG 35 HH12 ARG 35 80.016 9.067 5.039 325 H VAL 36 HN VAL 36 82.228 5.725 -1.698 326 HA VAL 36 HA VAL 36 81.847 8.482 -2.782 327 HB VAL 36 HB VAL 36 82.184 5.980 -4.440 328 1HG1 VAL 36 HG11 VAL 36 80.679 7.717 -5.414 329 2HG1 VAL 36 HG12 VAL 36 82.169 7.543 -6.338 330 3HG1 VAL 36 HG13 VAL 36 81.971 8.902 -5.233 331 1HG2 VAL 36 HG21 VAL 36 84.060 8.222 -3.717 332 2HG2 VAL 36 HG22 VAL 36 84.277 7.296 -5.200 333 3HG2 VAL 36 HG23 VAL 36 84.342 6.486 -3.636 334 H ASP 37 HN ASP 37 79.763 9.017 -2.796 335 HA ASP 37 HA ASP 37 77.689 7.116 -2.137 336 1HB ASP 37 HB2 ASP 37 77.739 9.672 -1.689 337 2HB ASP 37 HB1 ASP 37 77.213 9.841 -3.363 338 H GLU 38 HN GLU 38 76.032 6.334 -3.507 339 HA GLU 38 HA GLU 38 76.839 6.067 -6.339 340 1HB GLU 38 HB2 GLU 38 75.996 4.177 -4.782 341 2HB GLU 38 HB1 GLU 38 74.412 4.895 -5.007 342 1HG GLU 38 HG2 GLU 38 76.172 4.069 -7.320 343 2HG GLU 38 HG1 GLU 38 74.979 2.998 -6.583 344 H LYS 39 HN LYS 39 74.711 7.726 -4.314 345 HA LYS 39 HA LYS 39 72.726 8.460 -6.280 346 1HB LYS 39 HB2 LYS 39 72.360 8.358 -3.809 347 2HB LYS 39 HB1 LYS 39 73.415 9.753 -3.647 348 1HG LYS 39 HG2 LYS 39 71.884 10.978 -5.256 349 2HG LYS 39 HG1 LYS 39 70.766 9.627 -5.106 350 1HD LYS 39 HD2 LYS 39 71.814 11.186 -2.728 351 2HD LYS 39 HD1 LYS 39 70.313 11.590 -3.554 352 1HE LYS 39 HE2 LYS 39 70.969 9.028 -2.077 353 2HE LYS 39 HE1 LYS 39 69.721 10.206 -1.683 354 1HZ LYS 39 HZ1 LYS 39 68.708 8.360 -2.771 355 2HZ LYS 39 HZ2 LYS 39 69.812 8.433 -4.061 356 3HZ LYS 39 HZ3 LYS 39 68.673 9.675 -3.842 357 H THR 40 HN THR 40 75.394 10.161 -4.663 358 HA THR 40 HA THR 40 75.216 12.337 -6.689 359 HB THR 40 HB THR 40 77.044 12.340 -4.287 360 HG1 THR 40 HG1 THR 40 74.827 13.608 -3.710 361 1HG2 THR 40 HG21 THR 40 76.680 14.756 -4.441 362 2HG2 THR 40 HG22 THR 40 75.520 14.513 -5.749 363 3HG2 THR 40 HG23 THR 40 77.222 14.129 -5.999 364 H LYS 41 HN LYS 41 76.974 9.465 -6.198 365 HA LYS 41 HA LYS 41 79.042 8.733 -7.086 366 1HB LYS 41 HB2 LYS 41 78.359 10.879 -9.114 367 2HB LYS 41 HB1 LYS 41 79.521 9.576 -9.352 368 1HG LYS 41 HG2 LYS 41 77.844 7.915 -9.359 369 2HG LYS 41 HG1 LYS 41 76.661 8.976 -8.594 370 1HD LYS 41 HD2 LYS 41 76.251 8.638 -11.042 371 2HD LYS 41 HD1 LYS 41 76.490 10.326 -10.600 372 1HE LYS 41 HE2 LYS 41 78.827 8.642 -11.489 373 2HE LYS 41 HE1 LYS 41 77.763 9.395 -12.676 374 1HZ LYS 41 HZ1 LYS 41 79.150 11.122 -12.395 375 2HZ LYS 41 HZ2 LYS 41 79.670 10.613 -10.860 376 3HZ LYS 41 HZ3 LYS 41 78.194 11.437 -11.030 377 H GLU 42 HN GLU 42 78.971 11.126 -5.196 378 HA GLU 42 HA GLU 42 81.504 12.492 -6.022 379 1HB GLU 42 HB2 GLU 42 79.103 13.418 -4.813 380 2HB GLU 42 HB1 GLU 42 80.337 13.541 -3.571 381 1HG GLU 42 HG2 GLU 42 80.242 15.614 -4.864 382 2HG GLU 42 HG1 GLU 42 81.771 14.793 -5.163 383 H VAL 43 HN VAL 43 83.118 12.820 -4.249 384 HA VAL 43 HA VAL 43 83.525 10.297 -2.784 385 HB VAL 43 HB VAL 43 85.204 12.810 -3.028 386 1HG1 VAL 43 HG11 VAL 43 85.672 10.210 -1.557 387 2HG1 VAL 43 HG12 VAL 43 85.761 11.849 -0.914 388 3HG1 VAL 43 HG13 VAL 43 86.993 11.274 -2.037 389 1HG2 VAL 43 HG21 VAL 43 85.421 10.030 -4.217 390 2HG2 VAL 43 HG22 VAL 43 86.670 11.263 -4.348 391 3HG2 VAL 43 HG23 VAL 43 85.093 11.524 -5.092 392 H ILE 44 HN ILE 44 82.892 10.012 -0.713 393 HA ILE 44 HA ILE 44 82.071 12.399 0.864 394 HB ILE 44 HB ILE 44 81.539 9.502 1.515 395 1HG1 ILE 44 HG12 ILE 44 80.614 9.871 -0.693 396 2HG1 ILE 44 HG11 ILE 44 79.283 9.934 0.461 397 1HG2 ILE 44 HG21 ILE 44 81.268 11.315 3.261 398 2HG2 ILE 44 HG22 ILE 44 79.801 10.401 2.913 399 3HG2 ILE 44 HG23 ILE 44 80.016 12.015 2.238 400 1HD1 ILE 44 HD11 ILE 44 79.703 12.495 0.489 401 2HD1 ILE 44 HD12 ILE 44 78.915 11.807 -0.929 402 3HD1 ILE 44 HD13 ILE 44 80.629 12.215 -0.984 403 H GLN 45 HN GLN 45 84.398 9.766 0.826 404 HA GLN 45 HA GLN 45 85.972 11.059 2.878 405 1HB GLN 45 HB2 GLN 45 84.183 10.073 4.301 406 2HB GLN 45 HB1 GLN 45 84.610 8.479 3.688 407 1HG GLN 45 HG2 GLN 45 86.713 8.484 4.739 408 2HG GLN 45 HG1 GLN 45 86.706 10.237 4.951 409 1HE2 GLN 45 HE21 GLN 45 86.778 10.395 7.228 410 2HE2 GLN 45 HE22 GLN 45 85.613 9.716 8.255 411 H GLU 46 HN GLU 46 87.867 9.712 3.475 412 HA GLU 46 HA GLU 46 88.544 7.567 1.563 413 1HB GLU 46 HB2 GLU 46 89.957 10.192 1.936 414 2HB GLU 46 HB1 GLU 46 90.897 8.767 1.495 415 1HG GLU 46 HG2 GLU 46 89.708 8.475 -0.537 416 2HG GLU 46 HG1 GLU 46 88.424 9.580 -0.042 417 H TRP 47 HN TRP 47 90.386 6.252 2.269 418 HA TRP 47 HA TRP 47 91.118 6.542 5.142 419 1HB TRP 47 HB2 TRP 47 89.998 4.061 3.826 420 2HB TRP 47 HB1 TRP 47 90.823 4.039 5.373 421 HD1 TRP 47 HD1 TRP 47 89.585 6.534 6.799 422 HE1 TRP 47 HE1 TRP 47 87.096 6.570 7.443 423 HE3 TRP 47 HE3 TRP 47 87.774 2.962 3.613 424 HZ2 TRP 47 HZ2 TRP 47 84.675 5.268 6.735 425 HZ3 TRP 47 HZ3 TRP 47 85.364 2.380 3.632 426 HH2 TRP 47 HH2 TRP 47 83.812 3.528 5.187 427 H SER 48 HN SER 48 93.154 5.635 5.652 428 HA SER 48 HA SER 48 94.941 5.306 3.344 429 1HB SER 48 HB2 SER 48 95.697 4.932 6.231 430 2HB SER 48 HB1 SER 48 96.723 5.431 4.894 431 HG SER 48 HG SER 48 95.511 6.993 6.553 432 H LEU 49 HN LEU 49 95.844 3.364 2.673 433 HA LEU 49 HA LEU 49 94.493 0.932 3.348 434 1HB LEU 49 HB2 LEU 49 96.901 1.688 1.732 435 2HB LEU 49 HB1 LEU 49 96.724 -0.010 2.163 436 HG LEU 49 HG LEU 49 94.376 1.474 0.987 437 1HD1 LEU 49 HD11 LEU 49 95.953 1.984 -0.682 438 2HD1 LEU 49 HD12 LEU 49 95.244 0.477 -1.258 439 3HD1 LEU 49 HD13 LEU 49 96.819 0.463 -0.467 440 1HD2 LEU 49 HD21 LEU 49 93.878 -0.807 0.110 441 2HD2 LEU 49 HD22 LEU 49 94.011 -0.790 1.867 442 3HD2 LEU 49 HD23 LEU 49 95.341 -1.405 0.888 443 H THR 50 HN THR 50 97.406 2.472 4.568 444 HA THR 50 HA THR 50 98.328 0.136 6.018 445 HB THR 50 HB THR 50 99.849 1.791 7.145 446 HG1 THR 50 HG1 THR 50 99.701 3.907 5.923 447 1HG2 THR 50 HG21 THR 50 101.050 2.420 5.039 448 2HG2 THR 50 HG22 THR 50 99.645 1.872 4.124 449 3HG2 THR 50 HG23 THR 50 100.572 0.723 5.088 450 H ASN 51 HN ASN 51 95.771 2.267 6.513 451 HA ASN 51 HA ASN 51 95.903 2.167 9.473 452 1HB ASN 51 HB2 ASN 51 94.042 3.470 7.482 453 2HB ASN 51 HB1 ASN 51 93.619 3.366 9.191 454 1HD2 ASN 51 HD21 ASN 51 93.889 5.923 8.420 455 2HD2 ASN 51 HD22 ASN 51 95.386 6.583 8.871 456 H ILE 52 HN ILE 52 94.784 0.182 6.978 457 HA ILE 52 HA ILE 52 92.368 -0.796 8.253 458 HB ILE 52 HB ILE 52 94.122 -2.029 6.111 459 1HG1 ILE 52 HG12 ILE 52 91.468 -0.567 5.898 460 2HG1 ILE 52 HG11 ILE 52 93.031 0.189 5.596 461 1HG2 ILE 52 HG21 ILE 52 91.434 -2.798 7.263 462 2HG2 ILE 52 HG22 ILE 52 92.860 -3.814 7.046 463 3HG2 ILE 52 HG23 ILE 52 91.925 -3.295 5.646 464 1HD1 ILE 52 HD11 ILE 52 93.413 -1.749 3.912 465 2HD1 ILE 52 HD12 ILE 52 92.304 -0.460 3.446 466 3HD1 ILE 52 HD13 ILE 52 91.672 -2.000 4.028 467 H LYS 53 HN LYS 53 92.247 -2.175 9.937 468 HA LYS 53 HA LYS 53 94.688 -3.406 11.009 469 1HB LYS 53 HB2 LYS 53 92.554 -2.373 12.254 470 2HB LYS 53 HB1 LYS 53 91.940 -4.014 12.089 471 1HG LYS 53 HG2 LYS 53 94.619 -3.308 13.332 472 2HG LYS 53 HG1 LYS 53 93.145 -3.616 14.248 473 1HD LYS 53 HD2 LYS 53 93.017 -5.861 13.061 474 2HD LYS 53 HD1 LYS 53 94.650 -5.546 12.478 475 1HE LYS 53 HE2 LYS 53 93.708 -6.064 15.280 476 2HE LYS 53 HE1 LYS 53 95.114 -6.716 14.440 477 1HZ LYS 53 HZ1 LYS 53 94.799 -3.904 15.343 478 2HZ LYS 53 HZ2 LYS 53 96.159 -4.550 14.556 479 3HZ LYS 53 HZ3 LYS 53 95.742 -5.084 16.114 480 H ARG 54 HN ARG 54 91.521 -4.557 9.823 481 HA ARG 54 HA ARG 54 92.668 -6.756 8.383 482 1HB ARG 54 HB2 ARG 54 91.559 -8.583 9.784 483 2HB ARG 54 HB1 ARG 54 93.033 -7.886 10.436 484 1HG ARG 54 HG2 ARG 54 91.772 -7.722 12.349 485 2HG ARG 54 HG1 ARG 54 91.213 -6.232 11.613 486 1HD ARG 54 HD2 ARG 54 89.337 -7.574 10.561 487 2HD ARG 54 HD1 ARG 54 89.841 -8.940 11.549 488 HE ARG 54 HE ARG 54 88.225 -6.705 12.381 489 1HH1 ARG 54 HH21 ARG 54 90.831 -8.684 13.487 490 2HH1 ARG 54 HH22 ARG 54 90.641 -8.214 15.142 491 1HH2 ARG 54 HH11 ARG 54 87.966 -6.109 14.523 492 2HH2 ARG 54 HH12 ARG 54 89.023 -6.766 15.727 493 H TRP 55 HN TRP 55 90.764 -8.325 7.711 494 HA TRP 55 HA TRP 55 88.149 -6.928 7.724 495 1HB TRP 55 HB2 TRP 55 87.969 -7.009 5.256 496 2HB TRP 55 HB1 TRP 55 89.299 -5.975 5.770 497 HD1 TRP 55 HD1 TRP 55 88.665 -9.546 4.465 498 HE1 TRP 55 HE1 TRP 55 90.794 -10.352 3.248 499 HE3 TRP 55 HE3 TRP 55 91.763 -5.602 5.396 500 HZ2 TRP 55 HZ2 TRP 55 93.448 -9.432 2.721 501 HZ3 TRP 55 HZ3 TRP 55 94.077 -5.584 4.522 502 HH2 TRP 55 HH2 TRP 55 94.926 -7.496 3.186 503 H ALA 56 HN ALA 56 86.523 -8.282 6.421 504 HA ALA 56 HA ALA 56 87.151 -11.185 6.406 505 1HB ALA 56 HB1 ALA 56 84.829 -11.457 7.630 506 2HB ALA 56 HB2 ALA 56 85.160 -9.828 8.219 507 3HB ALA 56 HB3 ALA 56 86.277 -11.141 8.584 508 H ALA 57 HN ALA 57 86.688 -11.481 4.258 509 HA ALA 57 HA ALA 57 84.284 -10.166 3.099 510 1HB ALA 57 HB1 ALA 57 86.297 -11.793 1.557 511 2HB ALA 57 HB2 ALA 57 86.653 -10.138 2.047 512 3HB ALA 57 HB3 ALA 57 85.277 -10.466 0.994 513 H SER 58 HN SER 58 82.586 -11.305 2.248 514 HA SER 58 HA SER 58 82.716 -14.259 2.208 515 1HB SER 58 HB2 SER 58 81.146 -12.613 4.085 516 2HB SER 58 HB1 SER 58 80.175 -13.811 3.237 517 HG SER 58 HG SER 58 81.205 -14.552 5.208 518 HA PRO 59 HA PRO 59 80.493 -13.779 -1.566 519 1HB PRO 59 HB2 PRO 59 78.432 -15.724 -1.138 520 2HB PRO 59 HB1 PRO 59 79.983 -15.987 -1.946 521 1HG PRO 59 HG2 PRO 59 79.151 -16.790 0.778 522 2HG PRO 59 HG1 PRO 59 80.502 -17.391 -0.197 523 1HD PRO 59 HD2 PRO 59 80.741 -15.700 2.033 524 2HD PRO 59 HD1 PRO 59 81.990 -15.941 0.795 525 H LYS 60 HN LYS 60 79.247 -13.019 1.422 526 HA LYS 60 HA LYS 60 76.627 -12.045 0.370 527 1HB LYS 60 HB2 LYS 60 77.423 -12.035 3.278 528 2HB LYS 60 HB1 LYS 60 75.817 -12.143 2.565 529 1HG LYS 60 HG2 LYS 60 77.934 -14.297 2.439 530 2HG LYS 60 HG1 LYS 60 76.538 -14.298 3.501 531 1HD LYS 60 HD2 LYS 60 75.069 -14.153 1.462 532 2HD LYS 60 HD1 LYS 60 76.514 -14.383 0.477 533 1HE LYS 60 HE2 LYS 60 75.296 -16.521 0.897 534 2HE LYS 60 HE1 LYS 60 76.941 -16.541 1.533 535 1HZ LYS 60 HZ1 LYS 60 76.221 -16.504 3.664 536 2HZ LYS 60 HZ2 LYS 60 74.864 -17.260 2.975 537 3HZ LYS 60 HZ3 LYS 60 74.833 -15.595 3.314 538 H SER 61 HN SER 61 79.049 -10.955 2.755 539 HA SER 61 HA SER 61 78.845 -8.192 1.601 540 1HB SER 61 HB2 SER 61 78.834 -7.391 4.030 541 2HB SER 61 HB1 SER 61 77.345 -8.125 3.445 542 HG SER 61 HG SER 61 79.297 -9.768 4.587 543 H PHE 62 HN PHE 62 80.508 -6.730 2.626 544 HA PHE 62 HA PHE 62 83.098 -8.175 3.092 545 1HB PHE 62 HB2 PHE 62 82.986 -6.989 0.892 546 2HB PHE 62 HB1 PHE 62 82.656 -5.486 1.750 547 HD1 PHE 62 HD1 PHE 62 85.115 -8.329 1.943 548 HD2 PHE 62 HD2 PHE 62 84.495 -4.082 2.104 549 HE1 PHE 62 HE1 PHE 62 87.549 -7.986 2.253 550 HE2 PHE 62 HE2 PHE 62 86.932 -3.744 2.411 551 HZ PHE 62 HZ PHE 62 88.457 -5.693 2.486 552 H THR 63 HN THR 63 84.303 -7.445 4.882 553 HA THR 63 HA THR 63 83.256 -5.051 6.363 554 HB THR 63 HB THR 63 83.794 -7.823 7.461 555 HG1 THR 63 HG1 THR 63 81.703 -7.272 6.594 556 1HG2 THR 63 HG21 THR 63 83.134 -6.652 9.675 557 2HG2 THR 63 HG22 THR 63 83.583 -5.156 8.855 558 3HG2 THR 63 HG23 THR 63 84.783 -6.429 9.090 559 H LEU 64 HN LEU 64 84.906 -3.671 6.778 560 HA LEU 64 HA LEU 64 87.690 -4.788 6.947 561 1HB LEU 64 HB2 LEU 64 88.321 -2.319 6.420 562 2HB LEU 64 HB1 LEU 64 87.785 -3.350 5.098 563 HG LEU 64 HG LEU 64 85.711 -1.788 6.602 564 1HD1 LEU 64 HD11 LEU 64 87.541 -0.612 4.490 565 2HD1 LEU 64 HD12 LEU 64 87.438 -0.110 6.177 566 3HD1 LEU 64 HD13 LEU 64 86.074 0.156 5.094 567 1HD2 LEU 64 HD21 LEU 64 85.447 -3.501 4.563 568 2HD2 LEU 64 HD22 LEU 64 85.847 -2.075 3.612 569 3HD2 LEU 64 HD23 LEU 64 84.440 -2.061 4.670 570 H ASP 65 HN ASP 65 89.071 -3.802 8.537 571 HA ASP 65 HA ASP 65 87.617 -2.370 10.742 572 1HB ASP 65 HB2 ASP 65 89.734 -4.481 11.184 573 2HB ASP 65 HB1 ASP 65 88.654 -3.762 12.378 574 H PHE 66 HN PHE 66 88.677 -0.616 11.496 575 HA PHE 66 HA PHE 66 91.440 -0.092 10.475 576 1HB PHE 66 HB2 PHE 66 89.291 1.728 11.588 577 2HB PHE 66 HB1 PHE 66 90.915 2.270 11.173 578 HD1 PHE 66 HD1 PHE 66 91.751 1.734 8.763 579 HD2 PHE 66 HD2 PHE 66 87.619 1.657 9.937 580 HE1 PHE 66 HE1 PHE 66 91.071 1.938 6.386 581 HE2 PHE 66 HE2 PHE 66 86.940 1.863 7.562 582 HZ PHE 66 HZ PHE 66 88.666 2.002 5.786 583 H GLY 67 HN GLY 67 89.929 -1.331 13.118 584 1HA GLY 67 HA2 GLY 67 90.955 -1.927 15.184 585 2HA GLY 67 HA1 GLY 67 92.251 -0.778 14.849 586 H ASP 68 HN ASP 68 89.528 0.913 14.183 587 HA ASP 68 HA ASP 68 89.649 2.326 16.759 588 1HB ASP 68 HB2 ASP 68 87.805 3.725 15.546 589 2HB ASP 68 HB1 ASP 68 89.459 3.814 14.956 590 H TYR 69 HN TYR 69 88.763 0.472 18.021 591 HA TYR 69 HA TYR 69 86.275 -0.743 17.684 592 1HB TYR 69 HB2 TYR 69 87.764 -1.388 19.497 593 2HB TYR 69 HB1 TYR 69 87.591 0.199 20.246 594 HD1 TYR 69 HD1 TYR 69 85.789 0.664 21.712 595 HD2 TYR 69 HD2 TYR 69 85.683 -2.838 19.231 596 HE1 TYR 69 HE1 TYR 69 83.773 -0.130 22.921 597 HE2 TYR 69 HE2 TYR 69 83.668 -3.636 20.439 598 HH TYR 69 HH TYR 69 82.755 -2.971 23.128 599 H GLN 70 HN GLN 70 86.988 2.377 19.226 600 HA GLN 70 HA GLN 70 84.367 3.055 20.021 601 1HB GLN 70 HB2 GLN 70 85.138 5.427 19.846 602 2HB GLN 70 HB1 GLN 70 86.267 4.399 20.713 603 1HG GLN 70 HG2 GLN 70 87.405 4.100 18.384 604 2HG GLN 70 HG1 GLN 70 86.506 5.547 17.950 605 1HE2 GLN 70 HE21 GLN 70 87.251 7.563 18.760 606 2HE2 GLN 70 HE22 GLN 70 88.612 7.718 19.762 607 H ASP 71 HN ASP 71 86.009 3.997 16.975 608 HA ASP 71 HA ASP 71 83.692 5.155 15.797 609 1HB ASP 71 HB2 ASP 71 86.150 5.311 15.046 610 2HB ASP 71 HB1 ASP 71 85.864 3.778 14.235 611 H GLY 72 HN GLY 72 84.895 1.863 15.929 612 1HA GLY 72 HA2 GLY 72 83.490 -0.080 15.772 613 2HA GLY 72 HA1 GLY 72 82.266 0.894 14.961 614 H TYR 73 HN TYR 73 82.855 -1.490 13.815 615 HA TYR 73 HA TYR 73 84.978 -1.247 11.823 616 1HB TYR 73 HB2 TYR 73 82.674 -3.211 11.875 617 2HB TYR 73 HB1 TYR 73 84.206 -3.392 11.029 618 HD1 TYR 73 HD1 TYR 73 86.351 -3.371 12.435 619 HD2 TYR 73 HD2 TYR 73 82.448 -3.985 14.093 620 HE1 TYR 73 HE1 TYR 73 87.375 -4.394 14.447 621 HE2 TYR 73 HE2 TYR 73 83.463 -5.009 16.113 622 HH TYR 73 HH TYR 73 86.865 -5.775 16.266 623 H TYR 74 HN TYR 74 84.274 -1.681 9.445 624 HA TYR 74 HA TYR 74 81.834 -0.118 8.734 625 1HB TYR 74 HB2 TYR 74 83.941 1.260 8.483 626 2HB TYR 74 HB1 TYR 74 84.495 0.072 7.308 627 HD1 TYR 74 HD1 TYR 74 81.726 2.457 8.049 628 HD2 TYR 74 HD2 TYR 74 83.746 0.133 5.057 629 HE1 TYR 74 HE1 TYR 74 80.411 3.589 6.279 630 HE2 TYR 74 HE2 TYR 74 82.434 1.265 3.286 631 HH TYR 74 HH TYR 74 80.174 3.895 4.078 632 H SER 75 HN SER 75 80.607 -1.707 7.876 633 HA SER 75 HA SER 75 81.799 -3.441 5.754 634 1HB SER 75 HB2 SER 75 81.443 -4.708 7.878 635 2HB SER 75 HB1 SER 75 79.736 -4.285 7.807 636 HG SER 75 HG SER 75 80.043 -5.225 5.520 637 H VAL 76 HN VAL 76 80.283 -4.177 4.171 638 HA VAL 76 HA VAL 76 77.642 -2.840 4.063 639 HB VAL 76 HB VAL 76 78.152 -1.914 1.794 640 1HG1 VAL 76 HG11 VAL 76 78.405 -0.591 3.967 641 2HG1 VAL 76 HG12 VAL 76 79.319 0.025 2.590 642 3HG1 VAL 76 HG13 VAL 76 80.137 -0.899 3.847 643 1HG2 VAL 76 HG21 VAL 76 80.551 -1.750 1.147 644 2HG2 VAL 76 HG22 VAL 76 80.010 -3.424 1.228 645 3HG2 VAL 76 HG23 VAL 76 80.978 -2.747 2.535 646 H GLN 77 HN GLN 77 76.502 -3.625 1.954 647 HA GLN 77 HA GLN 77 76.845 -6.513 1.828 648 1HB GLN 77 HB2 GLN 77 74.965 -4.525 0.554 649 2HB GLN 77 HB1 GLN 77 74.989 -6.202 0.018 650 1HG GLN 77 HG2 GLN 77 74.626 -6.910 2.396 651 2HG GLN 77 HG1 GLN 77 74.453 -5.211 2.831 652 1HE2 GLN 77 HE21 GLN 77 72.363 -7.360 2.952 653 2HE2 GLN 77 HE22 GLN 77 71.094 -6.817 1.965 654 H THR 78 HN THR 78 77.822 -7.670 0.223 655 HA THR 78 HA THR 78 78.583 -6.355 -2.312 656 HB THR 78 HB THR 78 80.923 -6.870 -2.104 657 HG1 THR 78 HG1 THR 78 80.517 -8.794 -0.833 658 1HG2 THR 78 HG21 THR 78 80.072 -4.774 -0.983 659 2HG2 THR 78 HG22 THR 78 81.587 -5.385 -0.325 660 3HG2 THR 78 HG23 THR 78 80.076 -5.663 0.540 661 H THR 79 HN THR 79 77.834 -7.794 -3.747 662 HA THR 79 HA THR 79 77.383 -10.576 -3.173 663 HB THR 79 HB THR 79 77.681 -9.230 -5.871 664 HG1 THR 79 HG1 THR 79 75.250 -9.347 -5.552 665 1HG2 THR 79 HG21 THR 79 76.149 -11.068 -6.590 666 2HG2 THR 79 HG22 THR 79 76.297 -11.772 -4.979 667 3HG2 THR 79 HG23 THR 79 77.713 -11.654 -6.024 668 H GLU 80 HN GLU 80 80.139 -8.761 -4.098 669 HA GLU 80 HA GLU 80 81.708 -11.273 -4.445 670 1HB GLU 80 HB2 GLU 80 83.067 -9.944 -6.175 671 2HB GLU 80 HB1 GLU 80 81.483 -10.521 -6.692 672 1HG GLU 80 HG2 GLU 80 81.843 -7.773 -5.488 673 2HG GLU 80 HG1 GLU 80 82.063 -8.059 -7.208 674 H GLY 81 HN GLY 81 81.486 -9.825 -2.070 675 1HA GLY 81 HA2 GLY 81 83.387 -7.791 -1.616 676 2HA GLY 81 HA1 GLY 81 82.895 -8.965 -0.396 677 H GLU 82 HN GLU 82 83.920 -10.929 -2.700 678 HA GLU 82 HA GLU 82 86.449 -11.483 -1.414 679 1HB GLU 82 HB2 GLU 82 85.332 -13.361 -2.337 680 2HB GLU 82 HB1 GLU 82 85.033 -12.537 -3.860 681 1HG GLU 82 HG2 GLU 82 87.269 -12.739 -4.549 682 2HG GLU 82 HG1 GLU 82 87.831 -13.107 -2.926 683 H GLN 83 HN GLN 83 85.674 -10.475 -4.741 684 HA GLN 83 HA GLN 83 88.293 -9.902 -5.592 685 1HB GLN 83 HB2 GLN 83 85.846 -8.291 -6.325 686 2HB GLN 83 HB1 GLN 83 87.302 -8.485 -7.284 687 1HG GLN 83 HG2 GLN 83 86.822 -10.773 -7.707 688 2HG GLN 83 HG1 GLN 83 85.563 -10.811 -6.490 689 1HE2 GLN 83 HE21 GLN 83 84.243 -8.409 -7.123 690 2HE2 GLN 83 HE22 GLN 83 83.511 -8.565 -8.642 691 H ILE 84 HN ILE 84 85.937 -7.805 -4.010 692 HA ILE 84 HA ILE 84 87.496 -5.448 -3.865 693 HB ILE 84 HB ILE 84 85.640 -6.508 -1.710 694 1HG1 ILE 84 HG12 ILE 84 85.063 -5.004 -4.281 695 2HG1 ILE 84 HG11 ILE 84 84.483 -6.609 -3.840 696 1HG2 ILE 84 HG21 ILE 84 86.220 -3.649 -2.527 697 2HG2 ILE 84 HG22 ILE 84 87.088 -4.467 -1.229 698 3HG2 ILE 84 HG23 ILE 84 85.352 -4.203 -1.096 699 1HD1 ILE 84 HD11 ILE 84 82.650 -5.193 -3.371 700 2HD1 ILE 84 HD12 ILE 84 83.683 -3.942 -2.683 701 3HD1 ILE 84 HD13 ILE 84 83.405 -5.441 -1.797 702 H ALA 85 HN ALA 85 87.635 -8.449 -2.098 703 HA ALA 85 HA ALA 85 89.556 -7.435 -0.111 704 1HB ALA 85 HB1 ALA 85 88.939 -10.342 -0.653 705 2HB ALA 85 HB2 ALA 85 87.797 -9.315 0.210 706 3HB ALA 85 HB3 ALA 85 89.411 -9.579 0.867 707 H GLN 86 HN GLN 86 89.546 -9.163 -3.163 708 HA GLN 86 HA GLN 86 92.357 -9.928 -2.993 709 1HB GLN 86 HB2 GLN 86 90.515 -11.083 -4.365 710 2HB GLN 86 HB1 GLN 86 90.703 -9.761 -5.503 711 1HG GLN 86 HG2 GLN 86 93.192 -10.307 -5.504 712 2HG GLN 86 HG1 GLN 86 92.760 -11.795 -4.674 713 1HE2 GLN 86 HE21 GLN 86 93.738 -12.676 -6.833 714 2HE2 GLN 86 HE22 GLN 86 92.646 -12.896 -8.109 715 H LEU 87 HN LEU 87 90.445 -7.379 -4.485 716 HA LEU 87 HA LEU 87 92.632 -6.150 -5.888 717 1HB LEU 87 HB2 LEU 87 90.290 -5.657 -6.482 718 2HB LEU 87 HB1 LEU 87 90.017 -4.980 -4.879 719 HG LEU 87 HG LEU 87 91.651 -3.211 -5.312 720 1HD1 LEU 87 HD11 LEU 87 92.116 -4.825 -7.817 721 2HD1 LEU 87 HD12 LEU 87 93.294 -4.078 -6.737 722 3HD1 LEU 87 HD13 LEU 87 92.374 -3.081 -7.862 723 1HD2 LEU 87 HD21 LEU 87 89.519 -3.635 -7.418 724 2HD2 LEU 87 HD22 LEU 87 90.431 -2.130 -7.282 725 3HD2 LEU 87 HD23 LEU 87 89.411 -2.668 -5.946 726 H ILE 88 HN ILE 88 91.170 -5.809 -2.731 727 HA ILE 88 HA ILE 88 92.841 -3.604 -1.863 728 HB ILE 88 HB ILE 88 90.998 -5.582 -0.516 729 1HG1 ILE 88 HG12 ILE 88 90.292 -3.414 -1.843 730 2HG1 ILE 88 HG11 ILE 88 89.509 -3.789 -0.313 731 1HG2 ILE 88 HG21 ILE 88 91.383 -4.134 1.590 732 2HG2 ILE 88 HG22 ILE 88 92.879 -3.622 0.809 733 3HG2 ILE 88 HG23 ILE 88 92.621 -5.325 1.188 734 1HD1 ILE 88 HD11 ILE 88 90.312 -1.375 -0.628 735 2HD1 ILE 88 HD12 ILE 88 91.945 -2.004 -0.455 736 3HD1 ILE 88 HD13 ILE 88 90.791 -2.172 0.866 737 H ALA 89 HN ALA 89 92.750 -7.085 -1.107 738 HA ALA 89 HA ALA 89 95.150 -7.156 0.425 739 1HB ALA 89 HB1 ALA 89 93.501 -9.010 0.354 740 2HB ALA 89 HB2 ALA 89 95.133 -9.572 -0.008 741 3HB ALA 89 HB3 ALA 89 93.969 -9.344 -1.313 742 H GLY 90 HN GLY 90 94.606 -6.754 -2.935 743 1HA GLY 90 HA2 GLY 90 97.284 -7.706 -3.728 744 2HA GLY 90 HA1 GLY 90 96.061 -7.032 -4.803 745 H TYR 91 HN TYR 91 95.709 -4.682 -2.891 746 HA TYR 91 HA TYR 91 97.858 -3.058 -4.079 747 1HB TYR 91 HB2 TYR 91 95.346 -2.506 -2.521 748 2HB TYR 91 HB1 TYR 91 96.581 -1.259 -2.571 749 HD1 TYR 91 HD1 TYR 91 93.639 -2.182 -4.068 750 HD2 TYR 91 HD2 TYR 91 97.651 -1.079 -5.162 751 HE1 TYR 91 HE1 TYR 91 92.838 -1.445 -6.289 752 HE2 TYR 91 HE2 TYR 91 96.843 -0.365 -7.388 753 HH TYR 91 HH TYR 91 94.762 -1.006 -8.887 754 H ILE 92 HN ILE 92 97.064 -4.492 -1.007 755 HA ILE 92 HA ILE 92 98.852 -2.855 0.566 756 HB ILE 92 HB ILE 92 97.683 -5.587 1.133 757 1HG1 ILE 92 HG12 ILE 92 96.767 -2.845 2.045 758 2HG1 ILE 92 HG11 ILE 92 96.069 -3.692 0.662 759 1HG2 ILE 92 HG21 ILE 92 99.137 -3.550 2.831 760 2HG2 ILE 92 HG22 ILE 92 99.494 -5.268 2.645 761 3HG2 ILE 92 HG23 ILE 92 98.064 -4.755 3.540 762 1HD1 ILE 92 HD11 ILE 92 96.224 -4.923 3.422 763 2HD1 ILE 92 HD12 ILE 92 95.276 -5.478 2.044 764 3HD1 ILE 92 HD13 ILE 92 94.833 -3.987 2.875 765 H ASP 93 HN ASP 93 99.263 -5.653 -1.438 766 HA ASP 93 HA ASP 93 101.829 -6.419 -0.225 767 1HB ASP 93 HB2 ASP 93 100.256 -7.378 -2.621 768 2HB ASP 93 HB1 ASP 93 101.879 -7.969 -2.272 769 H ILE 94 HN ILE 94 100.702 -4.302 -2.711 770 HA ILE 94 HA ILE 94 103.280 -4.221 -4.127 771 HB ILE 94 HB ILE 94 100.802 -2.506 -4.420 772 1HG1 ILE 94 HG12 ILE 94 101.777 -4.807 -6.136 773 2HG1 ILE 94 HG11 ILE 94 100.576 -4.997 -4.859 774 1HG2 ILE 94 HG21 ILE 94 101.873 -2.114 -6.714 775 2HG2 ILE 94 HG22 ILE 94 103.349 -2.795 -6.028 776 3HG2 ILE 94 HG23 ILE 94 102.659 -1.320 -5.349 777 1HD1 ILE 94 HD11 ILE 94 100.355 -3.312 -7.362 778 2HD1 ILE 94 HD12 ILE 94 99.231 -3.173 -6.011 779 3HD1 ILE 94 HD13 ILE 94 99.357 -4.689 -6.900 780 H ILE 95 HN ILE 95 101.676 -2.480 -1.577 781 HA ILE 95 HA ILE 95 103.454 -0.145 -1.791 782 HB ILE 95 HB ILE 95 102.380 0.519 0.363 783 1HG1 ILE 95 HG12 ILE 95 100.956 -2.135 -0.008 784 2HG1 ILE 95 HG11 ILE 95 102.001 -1.674 1.336 785 1HG2 ILE 95 HG21 ILE 95 101.395 0.961 -1.951 786 2HG2 ILE 95 HG22 ILE 95 100.260 1.037 -0.604 787 3HG2 ILE 95 HG23 ILE 95 100.306 -0.389 -1.639 788 1HD1 ILE 95 HD11 ILE 95 99.280 -0.552 0.644 789 2HD1 ILE 95 HD12 ILE 95 100.376 0.248 1.770 790 3HD1 ILE 95 HD13 ILE 95 99.770 -1.369 2.129 791 H LEU 96 HN LEU 96 103.160 -3.088 0.069 792 HA LEU 96 HA LEU 96 105.356 -2.441 1.882 793 1HB LEU 96 HB2 LEU 96 103.522 -4.749 1.369 794 2HB LEU 96 HB1 LEU 96 105.034 -5.105 2.205 795 HG LEU 96 HG LEU 96 103.324 -2.798 3.143 796 1HD1 LEU 96 HD11 LEU 96 102.327 -4.519 4.789 797 2HD1 LEU 96 HD12 LEU 96 102.848 -5.741 3.628 798 3HD1 LEU 96 HD13 LEU 96 101.683 -4.509 3.146 799 1HD2 LEU 96 HD21 LEU 96 105.698 -3.358 3.992 800 2HD2 LEU 96 HD22 LEU 96 104.966 -4.772 4.749 801 3HD2 LEU 96 HD23 LEU 96 104.446 -3.153 5.216 802 H LYS 97 HN LYS 97 104.990 -3.895 -1.237 803 HA LYS 97 HA LYS 97 107.417 -5.429 -1.289 804 1HB LYS 97 HB2 LYS 97 105.629 -5.774 -2.923 805 2HB LYS 97 HB1 LYS 97 105.866 -4.146 -3.546 806 1HG LYS 97 HG2 LYS 97 108.336 -5.809 -3.488 807 2HG LYS 97 HG1 LYS 97 107.090 -6.390 -4.581 808 1HD LYS 97 HD2 LYS 97 107.074 -4.377 -5.831 809 2HD LYS 97 HD1 LYS 97 107.958 -3.506 -4.583 810 1HE LYS 97 HE2 LYS 97 109.112 -5.850 -6.111 811 2HE LYS 97 HE1 LYS 97 109.360 -4.167 -6.577 812 1HZ LYS 97 HZ1 LYS 97 109.963 -5.096 -3.841 813 2HZ LYS 97 HZ2 LYS 97 110.549 -3.723 -4.653 814 3HZ LYS 97 HZ3 LYS 97 111.097 -5.271 -5.090 815 H LYS 98 HN LYS 98 106.680 -2.045 -2.021 816 HA LYS 98 HA LYS 98 109.296 -1.467 -3.117 817 1HB LYS 98 HB2 LYS 98 107.254 0.418 -1.902 818 2HB LYS 98 HB1 LYS 98 108.597 0.870 -2.951 819 1HG LYS 98 HG2 LYS 98 107.643 -0.241 -4.828 820 2HG LYS 98 HG1 LYS 98 106.480 -1.102 -3.825 821 1HD LYS 98 HD2 LYS 98 105.346 0.734 -4.954 822 2HD LYS 98 HD1 LYS 98 105.432 1.076 -3.225 823 1HE LYS 98 HE2 LYS 98 107.179 2.654 -3.510 824 2HE LYS 98 HE1 LYS 98 107.541 2.083 -5.140 825 1HZ LYS 98 HZ1 LYS 98 105.531 3.946 -4.246 826 2HZ LYS 98 HZ2 LYS 98 104.949 2.777 -5.333 827 3HZ LYS 98 HZ3 LYS 98 106.252 3.775 -5.771 828 H LYS 99 HN LYS 99 107.802 -1.154 0.088 829 HA LYS 99 HA LYS 99 109.927 0.242 1.347 830 1HB LYS 99 HB2 LYS 99 107.779 -1.604 2.347 831 2HB LYS 99 HB1 LYS 99 108.994 -0.972 3.453 832 1HG LYS 99 HG2 LYS 99 107.528 0.932 1.631 833 2HG LYS 99 HG1 LYS 99 106.728 0.347 3.084 834 1HD LYS 99 HD2 LYS 99 109.529 1.439 3.297 835 2HD LYS 99 HD1 LYS 99 108.173 2.557 3.183 836 1HE LYS 99 HE2 LYS 99 107.267 1.877 5.227 837 2HE LYS 99 HE1 LYS 99 108.059 0.302 5.174 838 1HZ LYS 99 HZ1 LYS 99 109.330 2.933 5.684 839 2HZ LYS 99 HZ2 LYS 99 110.204 1.502 5.414 840 3HZ LYS 99 HZ3 LYS 99 109.183 1.635 6.765 841 H LYS 100 HN LYS 100 109.327 -3.265 1.045 842 HA LYS 100 HA LYS 100 111.879 -3.892 2.357 843 1HB LYS 100 HB2 LYS 100 109.673 -5.519 1.091 844 2HB LYS 100 HB1 LYS 100 111.214 -6.273 1.499 845 1HG LYS 100 HG2 LYS 100 109.497 -6.462 3.321 846 2HG LYS 100 HG1 LYS 100 110.973 -5.639 3.829 847 1HD LYS 100 HD2 LYS 100 109.941 -3.489 3.678 848 2HD LYS 100 HD1 LYS 100 108.546 -4.144 2.818 849 1HE LYS 100 HE2 LYS 100 107.734 -5.248 4.760 850 2HE LYS 100 HE1 LYS 100 109.267 -5.047 5.610 851 1HZ LYS 100 HZ1 LYS 100 107.103 -3.385 5.759 852 2HZ LYS 100 HZ2 LYS 100 108.183 -2.553 4.745 853 3HZ LYS 100 HZ3 LYS 100 108.673 -3.037 6.298 854 1H SER 1 HT1 SER 1 88.906 -18.332 9.299 855 2H SER 1 HT2 SER 1 89.773 -19.199 10.475 856 3H SER 1 HT3 SER 1 90.531 -17.953 9.602 857 HA SER 1 HA SER 1 88.145 -17.335 11.201 858 1HB SER 1 HB2 SER 1 89.380 -18.404 12.892 859 2HB SER 1 HB1 SER 1 90.926 -17.924 12.198 860 HG SER 1 HG SER 1 89.192 -16.545 13.857 861 H TRP 2 HN TRP 2 87.786 -15.501 9.929 862 HA TRP 2 HA TRP 2 88.177 -13.360 9.043 863 1HB TRP 2 HB2 TRP 2 89.778 -13.450 11.595 864 2HB TRP 2 HB1 TRP 2 89.932 -12.045 10.548 865 HD1 TRP 2 HD1 TRP 2 87.358 -13.945 12.641 866 HE1 TRP 2 HE1 TRP 2 85.372 -12.369 13.125 867 HE3 TRP 2 HE3 TRP 2 88.675 -9.967 9.739 868 HZ2 TRP 2 HZ2 TRP 2 84.469 -9.755 12.370 869 HZ3 TRP 2 HZ3 TRP 2 87.239 -7.950 9.632 870 HH2 TRP 2 HH2 TRP 2 85.149 -7.837 10.944 871 H VAL 3 HN VAL 3 90.313 -11.819 8.638 872 HA VAL 3 HA VAL 3 92.594 -13.400 7.665 873 HB VAL 3 HB VAL 3 91.215 -13.553 5.718 874 1HG1 VAL 3 HG11 VAL 3 89.530 -11.914 6.399 875 2HG1 VAL 3 HG12 VAL 3 90.095 -11.564 4.765 876 3HG1 VAL 3 HG13 VAL 3 90.684 -10.608 6.125 877 1HG2 VAL 3 HG21 VAL 3 92.802 -11.053 5.119 878 2HG2 VAL 3 HG22 VAL 3 92.553 -12.474 4.107 879 3HG2 VAL 3 HG23 VAL 3 93.628 -12.566 5.506 880 1HN PTR 4 HN PTR 4 94.454 -12.166 7.779 881 HA PTR 4 HA PTR 4 94.113 -9.258 8.479 882 1HB PTR 4 HB1 PTR 4 96.321 -9.633 9.728 883 2HB PTR 4 HB2 PTR 4 96.026 -11.358 9.513 884 HD1 PTR 4 HD1 PTR 4 93.515 -12.116 10.134 885 HD2 PTR 4 HD2 PTR 4 95.506 -8.632 11.683 886 HE1 PTR 4 HE1 PTR 4 91.974 -12.094 12.069 887 HE2 PTR 4 HE2 PTR 4 93.959 -8.617 13.620 888 H SER 5 HN SER 5 95.993 -7.904 7.920 889 HA SER 5 HA SER 5 97.121 -8.704 5.287 890 1HB SER 5 HB2 SER 5 97.733 -6.113 5.410 891 2HB SER 5 HB1 SER 5 96.100 -6.629 5.013 892 HG SER 5 HG SER 5 95.488 -5.645 6.750 893 HA PRO 6 HA PRO 6 101.204 -9.126 6.967 894 1HB PRO 6 HB2 PRO 6 102.626 -7.631 4.973 895 2HB PRO 6 HB1 PRO 6 102.378 -9.380 5.015 896 1HG PRO 6 HG2 PRO 6 101.070 -7.391 3.290 897 2HG PRO 6 HG1 PRO 6 101.052 -9.157 3.154 898 1HD PRO 6 HD2 PRO 6 98.889 -7.526 4.010 899 2HD PRO 6 HD1 PRO 6 98.994 -9.292 4.148 900 H LEU 7 HN LEU 7 99.845 -6.016 6.223 901 HA LEU 7 HA LEU 7 101.727 -4.177 7.091 902 1HB LEU 7 HB2 LEU 7 98.772 -4.217 7.777 903 2HB LEU 7 HB1 LEU 7 99.816 -2.806 7.909 904 HG LEU 7 HG LEU 7 99.628 -4.275 5.279 905 1HD1 LEU 7 HD11 LEU 7 97.303 -3.856 5.870 906 2HD1 LEU 7 HD12 LEU 7 97.798 -2.696 4.638 907 3HD1 LEU 7 HD13 LEU 7 97.685 -2.195 6.325 908 1HD2 LEU 7 HD21 LEU 7 100.076 -1.982 4.412 909 2HD2 LEU 7 HD22 LEU 7 101.336 -2.521 5.519 910 3HD2 LEU 7 HD23 LEU 7 100.109 -1.379 6.068 911 H HIS 8 HN HIS 8 101.674 -3.014 9.320 912 HA HIS 8 HA HIS 8 102.588 -4.791 11.326 913 1HB HIS 8 HB2 HIS 8 102.125 -2.773 12.870 914 2HB HIS 8 HB1 HIS 8 103.245 -2.523 11.532 915 HD1 HIS 8 HD1 HIS 8 99.719 -1.747 12.625 916 HD2 HIS 8 HD2 HIS 8 102.325 -0.762 9.522 917 HE1 HIS 8 HE1 HIS 8 98.631 0.151 11.351 Start of MODEL 7 1 1H LEU 1 HT1 LEU 1 88.491 15.111 -12.090 2 2H LEU 1 HT2 LEU 1 86.981 15.362 -11.353 3 3H LEU 1 HT3 LEU 1 87.522 13.783 -11.673 4 HA LEU 1 HA LEU 1 89.507 14.453 -10.161 5 1HB LEU 1 HB2 LEU 1 87.260 16.231 -9.167 6 2HB LEU 1 HB1 LEU 1 88.842 16.031 -8.418 7 HG LEU 1 HG LEU 1 88.536 17.018 -11.262 8 1HD1 LEU 1 HD11 LEU 1 88.802 19.311 -10.319 9 2HD1 LEU 1 HD12 LEU 1 88.619 18.636 -8.700 10 3HD1 LEU 1 HD13 LEU 1 87.281 18.555 -9.846 11 1HD2 LEU 1 HD21 LEU 1 90.775 18.064 -10.659 12 2HD2 LEU 1 HD22 LEU 1 90.778 16.305 -10.735 13 3HD2 LEU 1 HD23 LEU 1 90.735 17.120 -9.172 14 H LYS 2 HN LYS 2 89.013 13.934 -7.677 15 HA LYS 2 HA LYS 2 88.303 12.180 -6.293 16 1HB LYS 2 HB2 LYS 2 85.757 13.298 -7.465 17 2HB LYS 2 HB1 LYS 2 85.733 12.010 -6.260 18 1HG LYS 2 HG2 LYS 2 85.547 14.265 -5.230 19 2HG LYS 2 HG1 LYS 2 86.983 13.402 -4.690 20 1HD LYS 2 HD2 LYS 2 88.422 14.717 -6.012 21 2HD LYS 2 HD1 LYS 2 87.108 15.273 -7.049 22 1HE LYS 2 HE2 LYS 2 87.475 16.010 -4.131 23 2HE LYS 2 HE1 LYS 2 87.830 17.056 -5.505 24 1HZ LYS 2 HZ1 LYS 2 85.307 16.421 -4.298 25 2HZ LYS 2 HZ2 LYS 2 85.296 16.223 -5.985 26 3HZ LYS 2 HZ3 LYS 2 85.729 17.719 -5.305 27 H THR 3 HN THR 3 88.716 11.724 -9.359 28 HA THR 3 HA THR 3 87.939 8.881 -9.266 29 HB THR 3 HB THR 3 85.960 10.068 -10.254 30 HG1 THR 3 HG1 THR 3 86.691 8.811 -12.472 31 1HG2 THR 3 HG21 THR 3 87.716 11.743 -11.452 32 2HG2 THR 3 HG22 THR 3 86.104 11.448 -12.100 33 3HG2 THR 3 HG23 THR 3 87.488 10.586 -12.763 34 H TYR 4 HN TYR 4 90.467 9.899 -9.131 35 HA TYR 4 HA TYR 4 91.642 9.989 -11.828 36 1HB TYR 4 HB2 TYR 4 92.408 11.278 -9.670 37 2HB TYR 4 HB1 TYR 4 93.246 9.783 -9.280 38 HD1 TYR 4 HD1 TYR 4 94.749 8.765 -11.131 39 HD2 TYR 4 HD2 TYR 4 93.387 12.828 -11.136 40 HE1 TYR 4 HE1 TYR 4 96.575 9.370 -12.697 41 HE2 TYR 4 HE2 TYR 4 95.211 13.443 -12.702 42 HH TYR 4 HH TYR 4 97.687 12.280 -13.184 43 H GLY 5 HN GLY 5 90.954 7.811 -12.473 44 1HA GLY 5 HA2 GLY 5 91.393 5.536 -12.838 45 2HA GLY 5 HA1 GLY 5 92.994 5.849 -12.171 46 H VAL 6 HN VAL 6 89.773 6.066 -10.658 47 HA VAL 6 HA VAL 6 90.753 4.240 -8.488 48 HB VAL 6 HB VAL 6 88.497 6.273 -8.484 49 1HG1 VAL 6 HG11 VAL 6 89.603 4.421 -6.358 50 2HG1 VAL 6 HG12 VAL 6 87.952 4.480 -6.975 51 3HG1 VAL 6 HG13 VAL 6 88.574 5.808 -5.995 52 1HG2 VAL 6 HG21 VAL 6 91.132 6.320 -6.988 53 2HG2 VAL 6 HG22 VAL 6 89.945 7.619 -7.112 54 3HG2 VAL 6 HG23 VAL 6 90.885 7.145 -8.527 55 H SER 7 HN SER 7 89.644 2.326 -8.117 56 HA SER 7 HA SER 7 87.563 1.587 -10.082 57 1HB SER 7 HB2 SER 7 88.660 -0.138 -7.865 58 2HB SER 7 HB1 SER 7 87.882 -0.650 -9.356 59 HG SER 7 HG SER 7 89.894 0.881 -10.053 60 H PHE 8 HN PHE 8 85.666 2.524 -9.484 61 HA PHE 8 HA PHE 8 84.730 2.542 -6.691 62 1HB PHE 8 HB2 PHE 8 82.641 3.503 -7.839 63 2HB PHE 8 HB1 PHE 8 84.117 4.457 -7.953 64 HD1 PHE 8 HD1 PHE 8 81.672 2.438 -9.782 65 HD2 PHE 8 HD2 PHE 8 85.440 4.485 -10.050 66 HE1 PHE 8 HE1 PHE 8 81.551 2.338 -12.257 67 HE2 PHE 8 HE2 PHE 8 85.318 4.384 -12.525 68 HZ PHE 8 HZ PHE 8 83.374 3.311 -13.628 69 H PHE 9 HN PHE 9 83.716 0.802 -5.822 70 HA PHE 9 HA PHE 9 82.386 -1.181 -7.636 71 1HB PHE 9 HB2 PHE 9 83.607 -1.355 -4.878 72 2HB PHE 9 HB1 PHE 9 82.434 -2.558 -5.408 73 HD1 PHE 9 HD1 PHE 9 85.669 -0.942 -6.355 74 HD2 PHE 9 HD2 PHE 9 83.093 -4.352 -6.805 75 HE1 PHE 9 HE1 PHE 9 87.461 -2.137 -7.582 76 HE2 PHE 9 HE2 PHE 9 84.887 -5.547 -8.032 77 HZ PHE 9 HZ PHE 9 87.071 -4.437 -8.422 78 H LEU 10 HN LEU 10 80.165 -1.490 -7.433 79 HA LEU 10 HA LEU 10 78.705 0.406 -5.721 80 1HB LEU 10 HB2 LEU 10 77.771 0.060 -7.900 81 2HB LEU 10 HB1 LEU 10 77.809 -1.689 -7.716 82 HG LEU 10 HG LEU 10 76.244 -0.281 -5.591 83 1HD1 LEU 10 HD11 LEU 10 74.317 0.190 -6.987 84 2HD1 LEU 10 HD12 LEU 10 75.170 -0.378 -8.423 85 3HD1 LEU 10 HD13 LEU 10 75.701 1.091 -7.606 86 1HD2 LEU 10 HD21 LEU 10 76.236 -2.721 -5.774 87 2HD2 LEU 10 HD22 LEU 10 75.691 -2.624 -7.446 88 3HD2 LEU 10 HD23 LEU 10 74.627 -2.105 -6.140 89 H VAL 11 HN VAL 11 78.026 -0.029 -3.759 90 HA VAL 11 HA VAL 11 77.505 -2.850 -2.940 91 HB VAL 11 HB VAL 11 78.692 -2.492 -0.841 92 1HG1 VAL 11 HG11 VAL 11 80.565 -1.539 -3.017 93 2HG1 VAL 11 HG12 VAL 11 79.927 -3.183 -3.006 94 3HG1 VAL 11 HG13 VAL 11 80.919 -2.613 -1.663 95 1HG2 VAL 11 HG21 VAL 11 78.420 -0.187 -0.384 96 2HG2 VAL 11 HG22 VAL 11 79.052 0.291 -1.959 97 3HG2 VAL 11 HG23 VAL 11 80.142 -0.337 -0.729 98 H LYS 12 HN LYS 12 75.955 -2.939 -1.175 99 HA LYS 12 HA LYS 12 74.324 -0.429 -0.966 100 1HB LYS 12 HB2 LYS 12 73.661 -3.297 -1.258 101 2HB LYS 12 HB1 LYS 12 72.726 -2.493 0.000 102 1HG LYS 12 HG2 LYS 12 71.944 -0.818 -1.562 103 2HG LYS 12 HG1 LYS 12 73.012 -1.436 -2.832 104 1HD LYS 12 HD2 LYS 12 71.796 -3.590 -2.787 105 2HD LYS 12 HD1 LYS 12 70.731 -2.958 -1.530 106 1HE LYS 12 HE2 LYS 12 69.798 -2.817 -3.885 107 2HE LYS 12 HE1 LYS 12 69.836 -1.289 -3.006 108 1HZ LYS 12 HZ1 LYS 12 70.689 -1.114 -5.294 109 2HZ LYS 12 HZ2 LYS 12 71.938 -2.194 -4.897 110 3HZ LYS 12 HZ3 LYS 12 71.845 -0.681 -4.130 111 H GLU 13 HN GLU 13 73.598 0.237 1.049 112 HA GLU 13 HA GLU 13 74.937 -1.038 3.419 113 1HB GLU 13 HB2 GLU 13 74.414 1.925 3.153 114 2HB GLU 13 HB1 GLU 13 75.480 1.096 4.290 115 1HG GLU 13 HG2 GLU 13 76.780 0.294 2.216 116 2HG GLU 13 HG1 GLU 13 75.873 1.513 1.327 117 H LYS 14 HN LYS 14 73.765 -0.631 5.447 118 HA LYS 14 HA LYS 14 70.821 -0.501 4.987 119 1HB LYS 14 HB2 LYS 14 72.595 -1.767 7.061 120 2HB LYS 14 HB1 LYS 14 70.961 -1.307 7.535 121 1HG LYS 14 HG2 LYS 14 71.085 -3.654 6.724 122 2HG LYS 14 HG1 LYS 14 70.016 -2.660 5.736 123 1HD LYS 14 HD2 LYS 14 71.675 -2.437 4.008 124 2HD LYS 14 HD1 LYS 14 72.921 -3.149 5.039 125 1HE LYS 14 HE2 LYS 14 70.456 -4.568 3.987 126 2HE LYS 14 HE1 LYS 14 72.113 -4.822 3.444 127 1HZ LYS 14 HZ1 LYS 14 72.661 -5.450 5.764 128 2HZ LYS 14 HZ2 LYS 14 71.574 -6.514 5.006 129 3HZ LYS 14 HZ3 LYS 14 71.008 -5.380 6.138 130 H MET 15 HN MET 15 69.834 1.326 5.474 131 HA MET 15 HA MET 15 71.156 3.541 6.730 132 1HB MET 15 HB2 MET 15 68.321 2.974 5.885 133 2HB MET 15 HB1 MET 15 68.741 4.467 6.707 134 1HG MET 15 HG2 MET 15 70.294 3.558 4.295 135 2HG MET 15 HG1 MET 15 68.785 4.456 4.112 136 1HE MET 15 HE1 MET 15 68.210 6.418 5.425 137 2HE MET 15 HE2 MET 15 68.869 7.143 3.961 138 3HE MET 15 HE3 MET 15 69.282 7.821 5.534 139 H LYS 16 HN LYS 16 70.680 4.490 8.747 140 HA LYS 16 HA LYS 16 70.953 3.603 11.096 141 1HB LYS 16 HB2 LYS 16 68.181 4.692 11.089 142 2HB LYS 16 HB1 LYS 16 69.570 5.158 12.062 143 1HG LYS 16 HG2 LYS 16 69.450 6.999 10.661 144 2HG LYS 16 HG1 LYS 16 70.527 5.982 9.715 145 1HD LYS 16 HD2 LYS 16 69.004 6.376 8.031 146 2HD LYS 16 HD1 LYS 16 68.097 5.077 8.807 147 1HE LYS 16 HE2 LYS 16 67.666 8.053 8.986 148 2HE LYS 16 HE1 LYS 16 66.496 6.781 8.640 149 1HZ LYS 16 HZ1 LYS 16 67.722 7.482 11.239 150 2HZ LYS 16 HZ2 LYS 16 66.950 5.990 10.982 151 3HZ LYS 16 HZ3 LYS 16 66.077 7.439 10.830 152 H GLY 17 HN GLY 17 67.564 3.061 10.144 153 1HA GLY 17 HA2 GLY 17 67.727 0.325 11.337 154 2HA GLY 17 HA1 GLY 17 66.455 1.431 11.852 155 H LYS 18 HN LYS 18 66.553 2.447 8.880 156 HA LYS 18 HA LYS 18 64.236 1.176 7.953 157 1HB LYS 18 HB2 LYS 18 66.276 1.810 5.846 158 2HB LYS 18 HB1 LYS 18 64.576 2.261 5.944 159 1HG LYS 18 HG2 LYS 18 66.803 3.464 7.580 160 2HG LYS 18 HG1 LYS 18 66.028 4.214 6.209 161 1HD LYS 18 HD2 LYS 18 64.575 5.148 7.688 162 2HD LYS 18 HD1 LYS 18 63.844 3.564 7.812 163 1HE LYS 18 HE2 LYS 18 66.179 4.015 9.598 164 2HE LYS 18 HE1 LYS 18 64.758 4.974 9.953 165 1HZ LYS 18 HZ1 LYS 18 65.128 2.456 10.775 166 2HZ LYS 18 HZ2 LYS 18 64.213 2.206 9.369 167 3HZ LYS 18 HZ3 LYS 18 63.613 3.199 10.607 168 H ASN 19 HN ASN 19 63.801 -0.881 7.372 169 HA ASN 19 HA ASN 19 65.847 -2.900 7.246 170 1HB ASN 19 HB2 ASN 19 63.305 -3.174 7.686 171 2HB ASN 19 HB1 ASN 19 63.138 -3.133 5.935 172 1HD2 ASN 19 HD21 ASN 19 64.397 -5.037 8.641 173 2HD2 ASN 19 HD22 ASN 19 64.722 -6.436 7.736 174 H LYS 20 HN LYS 20 65.067 -0.404 5.288 175 HA LYS 20 HA LYS 20 65.337 -1.578 2.670 176 1HB LYS 20 HB2 LYS 20 64.674 0.944 3.761 177 2HB LYS 20 HB1 LYS 20 66.098 1.237 2.783 178 1HG LYS 20 HG2 LYS 20 64.318 1.522 1.274 179 2HG LYS 20 HG1 LYS 20 64.875 -0.110 0.949 180 1HD LYS 20 HD2 LYS 20 62.579 -0.482 1.121 181 2HD LYS 20 HD1 LYS 20 63.077 -0.774 2.786 182 1HE LYS 20 HE2 LYS 20 62.448 1.508 3.410 183 2HE LYS 20 HE1 LYS 20 62.054 1.885 1.734 184 1HZ LYS 20 HZ1 LYS 20 60.743 -0.457 2.822 185 2HZ LYS 20 HZ2 LYS 20 60.119 0.789 1.849 186 3HZ LYS 20 HZ3 LYS 20 60.279 1.015 3.526 187 H LEU 21 HN LEU 21 67.178 -0.267 1.319 188 HA LEU 21 HA LEU 21 69.798 -0.569 2.701 189 1HB LEU 21 HB2 LEU 21 69.494 -1.579 -0.129 190 2HB LEU 21 HB1 LEU 21 70.738 -1.949 1.052 191 HG LEU 21 HG LEU 21 68.627 -2.968 2.384 192 1HD1 LEU 21 HD11 LEU 21 66.973 -2.354 0.679 193 2HD1 LEU 21 HD12 LEU 21 67.118 -4.108 0.769 194 3HD1 LEU 21 HD13 LEU 21 67.893 -3.226 -0.547 195 1HD2 LEU 21 HD21 LEU 21 70.699 -4.186 1.676 196 2HD2 LEU 21 HD22 LEU 21 69.960 -4.444 0.096 197 3HD2 LEU 21 HD23 LEU 21 69.240 -5.165 1.533 198 H VAL 22 HN VAL 22 71.524 0.613 1.537 199 HA VAL 22 HA VAL 22 70.438 2.737 -0.291 200 HB VAL 22 HB VAL 22 72.017 2.947 2.235 201 1HG1 VAL 22 HG11 VAL 22 72.475 4.685 -0.203 202 2HG1 VAL 22 HG12 VAL 22 73.681 3.900 0.815 203 3HG1 VAL 22 HG13 VAL 22 72.773 5.279 1.431 204 1HG2 VAL 22 HG21 VAL 22 69.625 3.604 2.073 205 2HG2 VAL 22 HG22 VAL 22 70.048 4.790 0.840 206 3HG2 VAL 22 HG23 VAL 22 70.654 4.977 2.484 207 HA PRO 23 HA PRO 23 73.764 0.868 -2.809 208 1HB PRO 23 HB2 PRO 23 73.291 3.183 -4.592 209 2HB PRO 23 HB1 PRO 23 73.197 1.473 -4.971 210 1HG PRO 23 HG2 PRO 23 70.994 3.141 -4.710 211 2HG PRO 23 HG1 PRO 23 70.935 1.384 -4.493 212 1HD PRO 23 HD2 PRO 23 70.775 3.514 -2.439 213 2HD PRO 23 HD1 PRO 23 70.278 1.807 -2.335 214 H ARG 24 HN ARG 24 75.953 1.482 -3.156 215 HA ARG 24 HA ARG 24 76.804 4.251 -2.605 216 1HB ARG 24 HB2 ARG 24 76.542 2.982 -0.366 217 2HB ARG 24 HB1 ARG 24 77.918 2.025 -0.889 218 1HG ARG 24 HG2 ARG 24 79.008 3.701 0.299 219 2HG ARG 24 HG1 ARG 24 79.028 4.395 -1.320 220 1HD ARG 24 HD2 ARG 24 78.239 6.157 0.054 221 2HD ARG 24 HD1 ARG 24 76.772 5.488 -0.658 222 HE ARG 24 HE ARG 24 77.058 4.071 1.700 223 1HH1 ARG 24 HH21 ARG 24 76.996 7.393 0.779 224 2HH1 ARG 24 HH22 ARG 24 76.284 7.928 2.265 225 1HH2 ARG 24 HH11 ARG 24 76.128 4.751 3.643 226 2HH2 ARG 24 HH12 ARG 24 75.793 6.433 3.885 227 H LEU 25 HN LEU 25 78.900 4.637 -3.437 228 HA LEU 25 HA LEU 25 80.017 2.419 -5.103 229 1HB LEU 25 HB2 LEU 25 80.232 5.428 -5.230 230 2HB LEU 25 HB1 LEU 25 81.280 4.379 -6.175 231 HG LEU 25 HG LEU 25 78.255 4.283 -6.232 232 1HD1 LEU 25 HD11 LEU 25 80.138 5.544 -8.245 233 2HD1 LEU 25 HD12 LEU 25 79.191 6.449 -7.065 234 3HD1 LEU 25 HD13 LEU 25 78.377 5.521 -8.324 235 1HD2 LEU 25 HD21 LEU 25 79.005 3.192 -8.577 236 2HD2 LEU 25 HD22 LEU 25 78.845 2.237 -7.113 237 3HD2 LEU 25 HD23 LEU 25 80.436 2.779 -7.632 238 H LEU 26 HN LEU 26 82.150 1.763 -4.729 239 HA LEU 26 HA LEU 26 83.568 3.031 -2.407 240 1HB LEU 26 HB2 LEU 26 82.618 0.955 -1.657 241 2HB LEU 26 HB1 LEU 26 83.170 0.113 -3.100 242 HG LEU 26 HG LEU 26 85.459 0.267 -2.422 243 1HD1 LEU 26 HD11 LEU 26 84.398 2.216 -0.375 244 2HD1 LEU 26 HD12 LEU 26 85.694 2.451 -1.548 245 3HD1 LEU 26 HD13 LEU 26 85.952 1.412 -0.149 246 1HD2 LEU 26 HD21 LEU 26 83.856 -0.317 0.081 247 2HD2 LEU 26 HD22 LEU 26 85.427 -0.990 -0.354 248 3HD2 LEU 26 HD23 LEU 26 83.992 -1.435 -1.276 249 H GLY 27 HN GLY 27 85.272 4.034 -3.281 250 1HA GLY 27 HA2 GLY 27 86.693 2.994 -5.615 251 2HA GLY 27 HA1 GLY 27 87.016 4.512 -4.810 252 H ILE 28 HN ILE 28 88.518 1.815 -5.553 253 HA ILE 28 HA ILE 28 89.949 1.522 -2.926 254 HB ILE 28 HB ILE 28 90.031 -0.392 -5.283 255 1HG1 ILE 28 HG12 ILE 28 87.739 -0.385 -4.513 256 2HG1 ILE 28 HG11 ILE 28 88.515 -1.825 -3.860 257 1HG2 ILE 28 HG21 ILE 28 91.921 -0.614 -3.809 258 2HG2 ILE 28 HG22 ILE 28 90.823 -1.950 -3.465 259 3HG2 ILE 28 HG23 ILE 28 90.884 -0.557 -2.385 260 1HD1 ILE 28 HD11 ILE 28 87.395 -0.966 -1.997 261 2HD1 ILE 28 HD12 ILE 28 87.738 0.703 -2.443 262 3HD1 ILE 28 HD13 ILE 28 89.018 -0.313 -1.787 263 H THR 29 HN THR 29 91.773 2.797 -2.993 264 HA THR 29 HA THR 29 93.215 3.097 -5.597 265 HB THR 29 HB THR 29 93.891 4.630 -3.086 266 HG1 THR 29 HG1 THR 29 91.514 4.593 -4.212 267 1HG2 THR 29 HG21 THR 29 93.977 5.252 -6.052 268 2HG2 THR 29 HG22 THR 29 95.359 4.881 -5.020 269 3HG2 THR 29 HG23 THR 29 94.449 6.371 -4.773 270 H LYS 30 HN LYS 30 95.641 2.999 -5.428 271 HA LYS 30 HA LYS 30 96.414 0.575 -4.031 272 1HB LYS 30 HB2 LYS 30 98.568 0.876 -5.098 273 2HB LYS 30 HB1 LYS 30 97.320 1.283 -6.274 274 1HG LYS 30 HG2 LYS 30 97.587 3.716 -5.421 275 2HG LYS 30 HG1 LYS 30 99.086 3.148 -4.693 276 1HD LYS 30 HD2 LYS 30 99.856 3.891 -6.767 277 2HD LYS 30 HD1 LYS 30 99.569 2.186 -7.107 278 1HE LYS 30 HE2 LYS 30 97.407 2.702 -8.109 279 2HE LYS 30 HE1 LYS 30 97.555 4.395 -7.642 280 1HZ LYS 30 HZ1 LYS 30 99.466 4.612 -9.067 281 2HZ LYS 30 HZ2 LYS 30 98.158 4.008 -9.966 282 3HZ LYS 30 HZ3 LYS 30 99.405 2.966 -9.471 283 H GLU 31 HN GLU 31 96.337 3.877 -3.223 284 HA GLU 31 HA GLU 31 98.272 3.464 -0.967 285 1HB GLU 31 HB2 GLU 31 97.360 6.010 -2.323 286 2HB GLU 31 HB1 GLU 31 98.434 5.941 -0.932 287 1HG GLU 31 HG2 GLU 31 99.776 4.274 -2.569 288 2HG GLU 31 HG1 GLU 31 98.969 5.252 -3.785 289 H CYS 32 HN CYS 32 94.954 3.755 -1.682 290 HA CYS 32 HA CYS 32 94.264 3.828 1.119 291 1HB CYS 32 HB2 CYS 32 92.950 6.170 0.606 292 2HB CYS 32 HB1 CYS 32 94.543 6.108 1.346 293 HG CYS 32 HG CYS 32 94.861 6.130 -1.645 294 H VAL 33 HN VAL 33 91.838 4.174 1.399 295 HA VAL 33 HA VAL 33 90.314 3.165 -0.992 296 HB VAL 33 HB VAL 33 89.889 2.547 1.957 297 1HG1 VAL 33 HG11 VAL 33 88.325 1.868 -0.532 298 2HG1 VAL 33 HG12 VAL 33 87.742 2.647 0.934 299 3HG1 VAL 33 HG13 VAL 33 88.169 0.937 0.955 300 1HG2 VAL 33 HG21 VAL 33 91.796 1.375 0.721 301 2HG2 VAL 33 HG22 VAL 33 90.555 0.634 -0.291 302 3HG2 VAL 33 HG23 VAL 33 90.584 0.319 1.445 303 H MET 34 HN MET 34 88.198 4.196 -1.254 304 HA MET 34 HA MET 34 87.680 6.447 0.657 305 1HB MET 34 HB2 MET 34 86.952 7.716 -1.534 306 2HB MET 34 HB1 MET 34 88.648 7.673 -1.066 307 1HG MET 34 HG2 MET 34 87.683 5.408 -2.763 308 2HG MET 34 HG1 MET 34 87.832 6.979 -3.542 309 1HE MET 34 HE1 MET 34 90.026 8.532 -3.082 310 2HE MET 34 HE2 MET 34 89.799 7.719 -4.628 311 3HE MET 34 HE3 MET 34 91.396 7.750 -3.884 312 H ARG 35 HN ARG 35 85.591 7.166 0.862 313 HA ARG 35 HA ARG 35 83.554 5.108 0.123 314 1HB ARG 35 HB2 ARG 35 83.484 7.557 1.906 315 2HB ARG 35 HB1 ARG 35 82.062 6.589 1.554 316 1HG ARG 35 HG2 ARG 35 83.385 4.569 2.392 317 2HG ARG 35 HG1 ARG 35 84.575 5.720 3.000 318 1HD ARG 35 HD2 ARG 35 81.874 5.077 4.048 319 2HD ARG 35 HD1 ARG 35 83.274 5.732 4.895 320 HE ARG 35 HE ARG 35 82.421 7.859 3.361 321 1HH1 ARG 35 HH21 ARG 35 80.966 5.636 5.561 322 2HH1 ARG 35 HH22 ARG 35 79.788 6.768 6.136 323 1HH2 ARG 35 HH11 ARG 35 80.891 9.348 4.102 324 2HH2 ARG 35 HH12 ARG 35 79.747 8.871 5.311 325 H VAL 36 HN VAL 36 82.318 5.444 -1.662 326 HA VAL 36 HA VAL 36 82.011 8.248 -2.663 327 HB VAL 36 HB VAL 36 82.255 5.732 -4.324 328 1HG1 VAL 36 HG11 VAL 36 82.311 7.233 -6.221 329 2HG1 VAL 36 HG12 VAL 36 82.349 8.644 -5.166 330 3HG1 VAL 36 HG13 VAL 36 80.892 7.660 -5.267 331 1HG2 VAL 36 HG21 VAL 36 84.405 6.155 -3.385 332 2HG2 VAL 36 HG22 VAL 36 84.231 7.895 -3.597 333 3HG2 VAL 36 HG23 VAL 36 84.447 6.854 -5.003 334 H ASP 37 HN ASP 37 79.942 8.878 -2.656 335 HA ASP 37 HA ASP 37 77.798 7.031 -2.077 336 1HB ASP 37 HB2 ASP 37 77.906 9.541 -1.519 337 2HB ASP 37 HB1 ASP 37 77.464 9.819 -3.202 338 H GLU 38 HN GLU 38 76.143 6.337 -3.471 339 HA GLU 38 HA GLU 38 76.920 6.179 -6.322 340 1HB GLU 38 HB2 GLU 38 76.062 4.238 -4.822 341 2HB GLU 38 HB1 GLU 38 74.486 4.981 -5.019 342 1HG GLU 38 HG2 GLU 38 76.233 4.226 -7.366 343 2HG GLU 38 HG1 GLU 38 75.041 3.132 -6.662 344 H LYS 39 HN LYS 39 74.874 7.772 -4.180 345 HA LYS 39 HA LYS 39 72.821 8.621 -6.013 346 1HB LYS 39 HB2 LYS 39 72.536 8.466 -3.560 347 2HB LYS 39 HB1 LYS 39 73.712 9.756 -3.365 348 1HG LYS 39 HG2 LYS 39 72.267 11.283 -4.661 349 2HG LYS 39 HG1 LYS 39 71.077 9.994 -4.844 350 1HD LYS 39 HD2 LYS 39 71.061 9.854 -2.284 351 2HD LYS 39 HD1 LYS 39 71.940 11.382 -2.303 352 1HE LYS 39 HE2 LYS 39 69.587 11.892 -2.095 353 2HE LYS 39 HE1 LYS 39 70.092 12.340 -3.724 354 1HZ LYS 39 HZ1 LYS 39 69.124 10.414 -4.617 355 2HZ LYS 39 HZ2 LYS 39 67.968 11.029 -3.534 356 3HZ LYS 39 HZ3 LYS 39 68.923 9.694 -3.095 357 H THR 40 HN THR 40 75.559 10.290 -4.460 358 HA THR 40 HA THR 40 75.348 12.465 -6.486 359 HB THR 40 HB THR 40 76.948 13.653 -4.982 360 HG1 THR 40 HG1 THR 40 77.577 11.398 -4.139 361 1HG2 THR 40 HG21 THR 40 75.324 14.167 -3.312 362 2HG2 THR 40 HG22 THR 40 74.586 12.570 -3.442 363 3HG2 THR 40 HG23 THR 40 74.414 13.731 -4.759 364 H LYS 41 HN LYS 41 77.023 9.564 -6.120 365 HA LYS 41 HA LYS 41 79.042 8.783 -7.069 366 1HB LYS 41 HB2 LYS 41 78.434 11.045 -8.993 367 2HB LYS 41 HB1 LYS 41 79.529 9.697 -9.303 368 1HG LYS 41 HG2 LYS 41 77.778 8.127 -9.391 369 2HG LYS 41 HG1 LYS 41 76.660 9.178 -8.521 370 1HD LYS 41 HD2 LYS 41 76.102 9.079 -10.924 371 2HD LYS 41 HD1 LYS 41 76.582 10.706 -10.448 372 1HE LYS 41 HE2 LYS 41 78.735 10.475 -11.433 373 2HE LYS 41 HE1 LYS 41 78.564 8.726 -11.580 374 1HZ LYS 41 HZ1 LYS 41 76.819 10.662 -12.992 375 2HZ LYS 41 HZ2 LYS 41 76.924 8.985 -13.248 376 3HZ LYS 41 HZ3 LYS 41 78.220 9.996 -13.679 377 H GLU 42 HN GLU 42 79.178 10.953 -5.013 378 HA GLU 42 HA GLU 42 81.749 12.271 -5.832 379 1HB GLU 42 HB2 GLU 42 79.392 13.312 -4.639 380 2HB GLU 42 HB1 GLU 42 80.608 13.332 -3.372 381 1HG GLU 42 HG2 GLU 42 80.754 15.428 -4.540 382 2HG GLU 42 HG1 GLU 42 82.153 14.470 -5.015 383 H VAL 43 HN VAL 43 83.361 12.476 -4.047 384 HA VAL 43 HA VAL 43 83.616 9.920 -2.604 385 HB VAL 43 HB VAL 43 85.423 12.311 -2.999 386 1HG1 VAL 43 HG11 VAL 43 87.142 10.877 -1.751 387 2HG1 VAL 43 HG12 VAL 43 85.772 9.949 -1.140 388 3HG1 VAL 43 HG13 VAL 43 85.918 11.664 -0.755 389 1HG2 VAL 43 HG21 VAL 43 86.703 10.863 -4.341 390 2HG2 VAL 43 HG22 VAL 43 85.049 10.390 -4.728 391 3HG2 VAL 43 HG23 VAL 43 86.007 9.415 -3.614 392 H ILE 44 HN ILE 44 82.931 9.661 -0.543 393 HA ILE 44 HA ILE 44 82.182 12.074 1.015 394 HB ILE 44 HB ILE 44 81.618 9.201 1.735 395 1HG1 ILE 44 HG12 ILE 44 80.741 9.500 -0.503 396 2HG1 ILE 44 HG11 ILE 44 79.387 9.610 0.620 397 1HG2 ILE 44 HG21 ILE 44 79.771 10.216 2.986 398 2HG2 ILE 44 HG22 ILE 44 80.204 11.808 2.364 399 3HG2 ILE 44 HG23 ILE 44 81.297 10.965 3.459 400 1HD1 ILE 44 HD11 ILE 44 79.076 11.439 -0.856 401 2HD1 ILE 44 HD12 ILE 44 80.788 11.842 -0.852 402 3HD1 ILE 44 HD13 ILE 44 79.805 12.164 0.573 403 H GLN 45 HN GLN 45 84.443 9.370 1.071 404 HA GLN 45 HA GLN 45 85.894 10.720 3.247 405 1HB GLN 45 HB2 GLN 45 84.207 9.341 4.449 406 2HB GLN 45 HB1 GLN 45 84.869 7.907 3.678 407 1HG GLN 45 HG2 GLN 45 86.909 8.050 4.823 408 2HG GLN 45 HG1 GLN 45 86.671 9.752 5.229 409 1HE2 GLN 45 HE21 GLN 45 86.508 9.785 7.478 410 2HE2 GLN 45 HE22 GLN 45 85.470 8.797 8.384 411 H GLU 46 HN GLU 46 87.901 9.563 3.784 412 HA GLU 46 HA GLU 46 89.017 7.869 1.613 413 1HB GLU 46 HB2 GLU 46 89.963 10.544 2.569 414 2HB GLU 46 HB1 GLU 46 91.181 9.353 2.109 415 1HG GLU 46 HG2 GLU 46 90.210 9.131 -0.102 416 2HG GLU 46 HG1 GLU 46 88.860 10.179 0.340 417 H TRP 47 HN TRP 47 90.667 6.426 2.332 418 HA TRP 47 HA TRP 47 91.290 6.438 5.249 419 1HB TRP 47 HB2 TRP 47 90.203 4.113 3.654 420 2HB TRP 47 HB1 TRP 47 90.989 3.919 5.210 421 HD1 TRP 47 HD1 TRP 47 89.735 6.193 6.909 422 HE1 TRP 47 HE1 TRP 47 87.225 6.183 7.480 423 HE3 TRP 47 HE3 TRP 47 87.987 3.149 3.199 424 HZ2 TRP 47 HZ2 TRP 47 84.807 5.033 6.516 425 HZ3 TRP 47 HZ3 TRP 47 85.573 2.606 3.054 426 HH2 TRP 47 HH2 TRP 47 83.980 3.539 4.705 427 H SER 48 HN SER 48 93.310 5.481 5.742 428 HA SER 48 HA SER 48 95.165 5.331 3.461 429 1HB SER 48 HB2 SER 48 95.864 4.722 6.326 430 2HB SER 48 HB1 SER 48 96.904 5.354 5.056 431 HG SER 48 HG SER 48 96.185 6.957 6.567 432 H LEU 49 HN LEU 49 96.004 3.429 2.632 433 HA LEU 49 HA LEU 49 94.641 0.972 3.149 434 1HB LEU 49 HB2 LEU 49 96.746 1.953 1.378 435 2HB LEU 49 HB1 LEU 49 97.157 0.344 1.961 436 HG LEU 49 HG LEU 49 94.411 0.963 0.856 437 1HD1 LEU 49 HD11 LEU 49 96.953 0.271 -0.619 438 2HD1 LEU 49 HD12 LEU 49 95.778 1.535 -0.983 439 3HD1 LEU 49 HD13 LEU 49 95.369 -0.155 -1.269 440 1HD2 LEU 49 HD21 LEU 49 95.946 -1.639 0.811 441 2HD2 LEU 49 HD22 LEU 49 94.207 -1.390 0.682 442 3HD2 LEU 49 HD23 LEU 49 95.017 -1.152 2.228 443 H THR 50 HN THR 50 97.388 2.480 4.641 444 HA THR 50 HA THR 50 98.349 0.020 5.895 445 HB THR 50 HB THR 50 99.819 1.616 7.180 446 HG1 THR 50 HG1 THR 50 98.730 3.474 7.238 447 1HG2 THR 50 HG21 THR 50 101.161 2.253 5.224 448 2HG2 THR 50 HG22 THR 50 99.775 1.973 4.170 449 3HG2 THR 50 HG23 THR 50 100.520 0.622 5.024 450 H ASN 51 HN ASN 51 95.706 1.977 6.426 451 HA ASN 51 HA ASN 51 95.775 1.766 9.388 452 1HB ASN 51 HB2 ASN 51 93.904 3.087 7.415 453 2HB ASN 51 HB1 ASN 51 93.467 2.898 9.114 454 1HD2 ASN 51 HD21 ASN 51 93.566 5.286 9.361 455 2HD2 ASN 51 HD22 ASN 51 95.068 6.068 9.475 456 H ILE 52 HN ILE 52 94.451 0.121 6.630 457 HA ILE 52 HA ILE 52 92.210 -1.129 7.906 458 HB ILE 52 HB ILE 52 93.952 -2.135 5.633 459 1HG1 ILE 52 HG12 ILE 52 91.292 -0.670 5.592 460 2HG1 ILE 52 HG11 ILE 52 92.850 0.091 5.278 461 1HG2 ILE 52 HG21 ILE 52 92.674 -3.971 6.566 462 2HG2 ILE 52 HG22 ILE 52 91.883 -3.467 5.075 463 3HG2 ILE 52 HG23 ILE 52 91.217 -2.981 6.633 464 1HD1 ILE 52 HD11 ILE 52 92.071 -0.413 3.119 465 2HD1 ILE 52 HD12 ILE 52 91.388 -1.958 3.624 466 3HD1 ILE 52 HD13 ILE 52 93.136 -1.773 3.473 467 H LYS 53 HN LYS 53 92.221 -2.613 9.509 468 HA LYS 53 HA LYS 53 94.775 -3.938 10.236 469 1HB LYS 53 HB2 LYS 53 93.515 -2.881 12.041 470 2HB LYS 53 HB1 LYS 53 92.081 -3.820 11.626 471 1HG LYS 53 HG2 LYS 53 93.142 -5.878 12.259 472 2HG LYS 53 HG1 LYS 53 94.714 -5.092 12.406 473 1HD LYS 53 HD2 LYS 53 94.036 -3.876 14.343 474 2HD LYS 53 HD1 LYS 53 92.338 -4.278 14.088 475 1HE LYS 53 HE2 LYS 53 94.428 -6.407 14.563 476 2HE LYS 53 HE1 LYS 53 93.574 -5.627 15.891 477 1HZ LYS 53 HZ1 LYS 53 92.581 -7.754 14.982 478 2HZ LYS 53 HZ2 LYS 53 92.135 -6.848 13.616 479 3HZ LYS 53 HZ3 LYS 53 91.529 -6.434 15.148 480 H ARG 54 HN ARG 54 91.367 -4.873 9.620 481 HA ARG 54 HA ARG 54 92.308 -7.366 8.337 482 1HB ARG 54 HB2 ARG 54 90.735 -8.730 9.779 483 2HB ARG 54 HB1 ARG 54 92.156 -8.125 10.628 484 1HG ARG 54 HG2 ARG 54 90.936 -6.540 11.836 485 2HG ARG 54 HG1 ARG 54 89.665 -6.440 10.625 486 1HD ARG 54 HD2 ARG 54 88.627 -8.410 11.358 487 2HD ARG 54 HD1 ARG 54 90.077 -8.989 12.178 488 HE ARG 54 HE ARG 54 89.385 -6.602 13.479 489 1HH1 ARG 54 HH21 ARG 54 87.900 -9.625 12.727 490 2HH1 ARG 54 HH22 ARG 54 86.872 -9.615 14.121 491 1HH2 ARG 54 HH11 ARG 54 88.049 -6.574 15.298 492 2HH2 ARG 54 HH12 ARG 54 86.955 -7.888 15.575 493 H TRP 55 HN TRP 55 90.226 -8.650 7.644 494 HA TRP 55 HA TRP 55 87.841 -7.007 7.283 495 1HB TRP 55 HB2 TRP 55 87.884 -7.136 4.787 496 2HB TRP 55 HB1 TRP 55 89.161 -6.114 5.440 497 HD1 TRP 55 HD1 TRP 55 88.626 -9.687 4.097 498 HE1 TRP 55 HE1 TRP 55 90.862 -10.525 3.116 499 HE3 TRP 55 HE3 TRP 55 91.654 -5.775 5.338 500 HZ2 TRP 55 HZ2 TRP 55 93.569 -9.639 2.872 501 HZ3 TRP 55 HZ3 TRP 55 94.049 -5.792 4.719 502 HH2 TRP 55 HH2 TRP 55 95.011 -7.722 3.485 503 H ALA 56 HN ALA 56 86.219 -8.250 5.883 504 HA ALA 56 HA ALA 56 86.674 -11.182 5.890 505 1HB ALA 56 HB1 ALA 56 84.345 -11.379 7.046 506 2HB ALA 56 HB2 ALA 56 84.646 -9.730 7.595 507 3HB ALA 56 HB3 ALA 56 85.748 -11.027 8.057 508 H ALA 57 HN ALA 57 86.175 -11.598 3.787 509 HA ALA 57 HA ALA 57 83.972 -10.074 2.481 510 1HB ALA 57 HB1 ALA 57 86.207 -11.812 1.430 511 2HB ALA 57 HB2 ALA 57 85.955 -10.086 1.169 512 3HB ALA 57 HB3 ALA 57 84.879 -11.258 0.411 513 H SER 58 HN SER 58 82.029 -11.038 2.887 514 HA SER 58 HA SER 58 81.849 -13.987 2.910 515 1HB SER 58 HB2 SER 58 80.343 -11.771 4.076 516 2HB SER 58 HB1 SER 58 79.276 -12.936 3.303 517 HG SER 58 HG SER 58 81.147 -13.307 5.383 518 HA PRO 59 HA PRO 59 80.276 -14.350 -1.180 519 1HB PRO 59 HB2 PRO 59 77.872 -15.815 -0.661 520 2HB PRO 59 HB1 PRO 59 79.460 -16.488 -1.054 521 1HG PRO 59 HG2 PRO 59 78.097 -16.358 1.568 522 2HG PRO 59 HG1 PRO 59 79.459 -17.374 1.069 523 1HD PRO 59 HD2 PRO 59 79.633 -15.146 2.775 524 2HD PRO 59 HD1 PRO 59 80.999 -15.894 1.924 525 H LYS 60 HN LYS 60 78.771 -12.483 1.126 526 HA LYS 60 HA LYS 60 76.980 -11.265 -0.914 527 1HB LYS 60 HB2 LYS 60 75.118 -11.199 0.694 528 2HB LYS 60 HB1 LYS 60 75.592 -12.854 0.334 529 1HG LYS 60 HG2 LYS 60 77.159 -12.564 2.434 530 2HG LYS 60 HG1 LYS 60 76.041 -11.269 2.839 531 1HD LYS 60 HD2 LYS 60 74.158 -12.910 2.582 532 2HD LYS 60 HD1 LYS 60 75.368 -14.178 2.375 533 1HE LYS 60 HE2 LYS 60 74.596 -14.056 4.723 534 2HE LYS 60 HE1 LYS 60 76.310 -13.660 4.589 535 1HZ LYS 60 HZ1 LYS 60 74.299 -11.518 4.449 536 2HZ LYS 60 HZ2 LYS 60 75.922 -11.439 4.948 537 3HZ LYS 60 HZ3 LYS 60 74.752 -12.142 5.960 538 H SER 61 HN SER 61 78.731 -11.014 2.115 539 HA SER 61 HA SER 61 78.364 -8.028 2.015 540 1HB SER 61 HB2 SER 61 78.634 -8.071 4.490 541 2HB SER 61 HB1 SER 61 77.197 -8.927 3.940 542 HG SER 61 HG SER 61 78.007 -10.550 4.995 543 H PHE 62 HN PHE 62 80.119 -6.842 3.137 544 HA PHE 62 HA PHE 62 82.778 -8.171 3.087 545 1HB PHE 62 HB2 PHE 62 82.593 -7.216 0.862 546 2HB PHE 62 HB1 PHE 62 81.982 -5.702 1.517 547 HD1 PHE 62 HD1 PHE 62 84.928 -7.920 2.336 548 HD2 PHE 62 HD2 PHE 62 83.541 -3.985 1.289 549 HE1 PHE 62 HE1 PHE 62 87.240 -7.055 2.507 550 HE2 PHE 62 HE2 PHE 62 85.855 -3.131 1.448 551 HZ PHE 62 HZ PHE 62 87.705 -4.661 2.067 552 H THR 63 HN THR 63 84.145 -7.307 4.719 553 HA THR 63 HA THR 63 83.205 -4.832 6.125 554 HB THR 63 HB THR 63 83.720 -7.544 7.366 555 HG1 THR 63 HG1 THR 63 81.608 -6.875 6.504 556 1HG2 THR 63 HG21 THR 63 83.156 -6.219 9.525 557 2HG2 THR 63 HG22 THR 63 83.637 -4.794 8.602 558 3HG2 THR 63 HG23 THR 63 84.794 -6.098 8.882 559 H LEU 64 HN LEU 64 84.822 -3.690 7.219 560 HA LEU 64 HA LEU 64 87.606 -4.747 7.099 561 1HB LEU 64 HB2 LEU 64 88.235 -2.252 6.507 562 2HB LEU 64 HB1 LEU 64 87.821 -3.387 5.229 563 HG LEU 64 HG LEU 64 85.533 -1.894 6.458 564 1HD1 LEU 64 HD11 LEU 64 86.011 0.025 4.832 565 2HD1 LEU 64 HD12 LEU 64 87.658 -0.598 4.738 566 3HD1 LEU 64 HD13 LEU 64 87.016 -0.032 6.279 567 1HD2 LEU 64 HD21 LEU 64 84.808 -1.846 4.078 568 2HD2 LEU 64 HD22 LEU 64 85.177 -3.482 4.615 569 3HD2 LEU 64 HD23 LEU 64 86.332 -2.599 3.622 570 H ASP 65 HN ASP 65 89.009 -3.731 8.656 571 HA ASP 65 HA ASP 65 87.605 -2.133 10.773 572 1HB ASP 65 HB2 ASP 65 89.641 -4.266 11.419 573 2HB ASP 65 HB1 ASP 65 88.495 -3.482 12.501 574 H PHE 66 HN PHE 66 88.674 -0.284 11.164 575 HA PHE 66 HA PHE 66 91.472 0.009 10.208 576 1HB PHE 66 HB2 PHE 66 89.471 2.010 11.303 577 2HB PHE 66 HB1 PHE 66 91.089 2.421 10.734 578 HD1 PHE 66 HD1 PHE 66 91.706 1.541 8.327 579 HD2 PHE 66 HD2 PHE 66 87.692 2.052 9.770 580 HE1 PHE 66 HE1 PHE 66 90.875 1.615 5.992 581 HE2 PHE 66 HE2 PHE 66 86.862 2.127 7.437 582 HZ PHE 66 HZ PHE 66 88.455 1.905 5.549 583 H GLY 67 HN GLY 67 89.938 -0.999 12.943 584 1HA GLY 67 HA2 GLY 67 90.870 -1.464 15.070 585 2HA GLY 67 HA1 GLY 67 92.324 -0.587 14.586 586 H ASP 68 HN ASP 68 89.940 1.458 13.756 587 HA ASP 68 HA ASP 68 90.278 3.037 16.237 588 1HB ASP 68 HB2 ASP 68 88.720 3.942 13.830 589 2HB ASP 68 HB1 ASP 68 89.655 4.903 14.971 590 H TYR 69 HN TYR 69 88.874 1.985 17.715 591 HA TYR 69 HA TYR 69 86.300 1.018 17.297 592 1HB TYR 69 HB2 TYR 69 87.401 0.815 19.460 593 2HB TYR 69 HB1 TYR 69 87.346 2.564 19.684 594 HD1 TYR 69 HD1 TYR 69 85.409 3.628 20.552 595 HD2 TYR 69 HD2 TYR 69 85.217 -0.459 19.255 596 HE1 TYR 69 HE1 TYR 69 83.134 3.427 21.524 597 HE2 TYR 69 HE2 TYR 69 82.944 -0.664 20.227 598 HH TYR 69 HH TYR 69 81.570 0.409 21.928 599 H GLN 70 HN GLN 70 87.255 4.368 17.987 600 HA GLN 70 HA GLN 70 84.752 5.595 18.125 601 1HB GLN 70 HB2 GLN 70 86.105 7.498 16.735 602 2HB GLN 70 HB1 GLN 70 86.405 7.180 18.435 603 1HG GLN 70 HG2 GLN 70 87.906 5.600 16.373 604 2HG GLN 70 HG1 GLN 70 88.422 7.239 16.746 605 1HE2 GLN 70 HE21 GLN 70 90.368 6.625 17.876 606 2HE2 GLN 70 HE22 GLN 70 90.335 5.795 19.356 607 H ASP 71 HN ASP 71 86.672 5.313 15.110 608 HA ASP 71 HA ASP 71 84.549 6.045 13.380 609 1HB ASP 71 HB2 ASP 71 87.071 5.807 12.883 610 2HB ASP 71 HB1 ASP 71 86.721 4.104 12.621 611 H GLY 72 HN GLY 72 85.444 3.005 14.852 612 1HA GLY 72 HA2 GLY 72 84.166 1.045 15.101 613 2HA GLY 72 HA1 GLY 72 82.829 1.883 14.317 614 H TYR 73 HN TYR 73 83.191 -0.713 13.606 615 HA TYR 73 HA TYR 73 84.982 -1.065 11.365 616 1HB TYR 73 HB2 TYR 73 82.462 -2.637 11.938 617 2HB TYR 73 HB1 TYR 73 83.871 -3.173 11.035 618 HD1 TYR 73 HD1 TYR 73 86.146 -3.114 12.312 619 HD2 TYR 73 HD2 TYR 73 82.313 -3.139 14.229 620 HE1 TYR 73 HE1 TYR 73 87.200 -3.957 14.394 621 HE2 TYR 73 HE2 TYR 73 83.358 -3.977 16.317 622 HH TYR 73 HH TYR 73 85.559 -3.997 17.388 623 H TYR 74 HN TYR 74 84.173 -1.500 9.130 624 HA TYR 74 HA TYR 74 81.742 0.073 8.405 625 1HB TYR 74 HB2 TYR 74 83.856 1.377 7.974 626 2HB TYR 74 HB1 TYR 74 84.357 0.086 6.885 627 HD1 TYR 74 HD1 TYR 74 81.510 2.437 7.521 628 HD2 TYR 74 HD2 TYR 74 83.690 0.126 4.631 629 HE1 TYR 74 HE1 TYR 74 80.170 3.449 5.697 630 HE2 TYR 74 HE2 TYR 74 82.352 1.139 2.806 631 HH TYR 74 HH TYR 74 80.417 2.309 2.382 632 H SER 75 HN SER 75 80.434 -1.527 7.703 633 HA SER 75 HA SER 75 81.498 -3.467 5.695 634 1HB SER 75 HB2 SER 75 81.048 -4.509 7.944 635 2HB SER 75 HB1 SER 75 79.359 -4.052 7.753 636 HG SER 75 HG SER 75 80.902 -5.744 6.072 637 H VAL 76 HN VAL 76 80.022 -4.159 4.113 638 HA VAL 76 HA VAL 76 77.402 -2.809 3.906 639 HB VAL 76 HB VAL 76 77.953 -1.898 1.652 640 1HG1 VAL 76 HG11 VAL 76 78.207 -0.577 3.838 641 2HG1 VAL 76 HG12 VAL 76 79.091 0.045 2.444 642 3HG1 VAL 76 HG13 VAL 76 79.940 -0.868 3.690 643 1HG2 VAL 76 HG21 VAL 76 79.776 -3.361 1.032 644 2HG2 VAL 76 HG22 VAL 76 80.728 -2.855 2.424 645 3HG2 VAL 76 HG23 VAL 76 80.419 -1.724 1.110 646 H GLN 77 HN GLN 77 76.343 -3.599 1.744 647 HA GLN 77 HA GLN 77 76.638 -6.492 1.680 648 1HB GLN 77 HB2 GLN 77 74.838 -4.469 0.381 649 2HB GLN 77 HB1 GLN 77 74.898 -6.094 -0.292 650 1HG GLN 77 HG2 GLN 77 74.464 -5.624 2.660 651 2HG GLN 77 HG1 GLN 77 73.124 -5.625 1.516 652 1HE2 GLN 77 HE21 GLN 77 72.292 -7.654 0.912 653 2HE2 GLN 77 HE22 GLN 77 73.028 -9.138 1.284 654 H THR 78 HN THR 78 77.534 -7.724 0.036 655 HA THR 78 HA THR 78 78.488 -6.436 -2.437 656 HB THR 78 HB THR 78 80.795 -7.304 -2.118 657 HG1 THR 78 HG1 THR 78 80.761 -7.493 0.537 658 1HG2 THR 78 HG21 THR 78 80.067 -5.512 0.195 659 2HG2 THR 78 HG22 THR 78 80.024 -4.941 -1.472 660 3HG2 THR 78 HG23 THR 78 81.543 -5.500 -0.771 661 H THR 79 HN THR 79 77.770 -7.822 -3.939 662 HA THR 79 HA THR 79 77.086 -10.564 -3.409 663 HB THR 79 HB THR 79 77.697 -9.332 -6.107 664 HG1 THR 79 HG1 THR 79 75.095 -9.395 -5.456 665 1HG2 THR 79 HG21 THR 79 75.777 -11.526 -5.281 666 2HG2 THR 79 HG22 THR 79 77.362 -11.799 -6.005 667 3HG2 THR 79 HG23 THR 79 76.100 -10.983 -6.927 668 H GLU 80 HN GLU 80 80.008 -8.942 -4.251 669 HA GLU 80 HA GLU 80 81.436 -11.548 -4.364 670 1HB GLU 80 HB2 GLU 80 82.752 -10.851 -6.251 671 2HB GLU 80 HB1 GLU 80 81.063 -10.620 -6.683 672 1HG GLU 80 HG2 GLU 80 83.163 -8.552 -6.088 673 2HG GLU 80 HG1 GLU 80 82.005 -8.610 -7.402 674 H GLY 81 HN GLY 81 81.202 -9.926 -2.117 675 1HA GLY 81 HA2 GLY 81 83.061 -7.936 -1.599 676 2HA GLY 81 HA1 GLY 81 82.650 -9.174 -0.414 677 H GLU 82 HN GLU 82 83.712 -11.159 -2.553 678 HA GLU 82 HA GLU 82 86.303 -11.547 -1.407 679 1HB GLU 82 HB2 GLU 82 85.263 -13.456 -2.363 680 2HB GLU 82 HB1 GLU 82 84.914 -12.611 -3.865 681 1HG GLU 82 HG2 GLU 82 87.152 -12.689 -4.573 682 2HG GLU 82 HG1 GLU 82 87.744 -13.061 -2.961 683 H GLN 83 HN GLN 83 85.411 -10.484 -4.679 684 HA GLN 83 HA GLN 83 87.951 -9.785 -5.617 685 1HB GLN 83 HB2 GLN 83 85.475 -8.141 -6.126 686 2HB GLN 83 HB1 GLN 83 86.868 -8.309 -7.179 687 1HG GLN 83 HG2 GLN 83 86.339 -10.618 -7.610 688 2HG GLN 83 HG1 GLN 83 85.075 -10.600 -6.393 689 1HE2 GLN 83 HE21 GLN 83 83.451 -11.149 -7.996 690 2HE2 GLN 83 HE22 GLN 83 82.899 -9.997 -9.110 691 H ILE 84 HN ILE 84 85.672 -7.813 -3.793 692 HA ILE 84 HA ILE 84 87.202 -5.441 -3.626 693 HB ILE 84 HB ILE 84 85.535 -6.639 -1.396 694 1HG1 ILE 84 HG12 ILE 84 84.435 -6.464 -3.758 695 2HG1 ILE 84 HG11 ILE 84 83.575 -5.794 -2.382 696 1HG2 ILE 84 HG21 ILE 84 85.129 -4.181 -0.915 697 2HG2 ILE 84 HG22 ILE 84 86.405 -3.825 -2.080 698 3HG2 ILE 84 HG23 ILE 84 86.773 -4.749 -0.626 699 1HD1 ILE 84 HD11 ILE 84 85.376 -4.129 -4.158 700 2HD1 ILE 84 HD12 ILE 84 84.219 -3.555 -2.958 701 3HD1 ILE 84 HD13 ILE 84 83.648 -4.316 -4.440 702 H ALA 85 HN ALA 85 87.396 -8.471 -1.859 703 HA ALA 85 HA ALA 85 89.497 -7.479 -0.055 704 1HB ALA 85 HB1 ALA 85 88.187 -10.166 -0.491 705 2HB ALA 85 HB2 ALA 85 88.068 -9.110 0.916 706 3HB ALA 85 HB3 ALA 85 89.573 -9.968 0.582 707 H GLN 86 HN GLN 86 89.249 -9.182 -3.102 708 HA GLN 86 HA GLN 86 92.023 -10.112 -3.042 709 1HB GLN 86 HB2 GLN 86 90.051 -11.175 -4.315 710 2HB GLN 86 HB1 GLN 86 90.281 -9.887 -5.484 711 1HG GLN 86 HG2 GLN 86 92.732 -10.592 -5.554 712 2HG GLN 86 HG1 GLN 86 92.229 -12.038 -4.692 713 1HE2 GLN 86 HE21 GLN 86 93.008 -13.114 -6.789 714 2HE2 GLN 86 HE22 GLN 86 91.897 -13.230 -8.062 715 H LEU 87 HN LEU 87 90.193 -7.450 -4.390 716 HA LEU 87 HA LEU 87 92.378 -6.382 -5.949 717 1HB LEU 87 HB2 LEU 87 90.069 -5.817 -6.522 718 2HB LEU 87 HB1 LEU 87 89.813 -5.128 -4.922 719 HG LEU 87 HG LEU 87 91.445 -3.372 -5.367 720 1HD1 LEU 87 HD11 LEU 87 93.103 -4.313 -6.743 721 2HD1 LEU 87 HD12 LEU 87 92.246 -3.267 -7.874 722 3HD1 LEU 87 HD13 LEU 87 91.927 -5.001 -7.863 723 1HD2 LEU 87 HD21 LEU 87 89.345 -3.819 -7.501 724 2HD2 LEU 87 HD22 LEU 87 90.275 -2.324 -7.394 725 3HD2 LEU 87 HD23 LEU 87 89.229 -2.810 -6.060 726 H ILE 88 HN ILE 88 91.068 -5.914 -2.742 727 HA ILE 88 HA ILE 88 92.877 -3.728 -2.071 728 HB ILE 88 HB ILE 88 90.969 -5.457 -0.482 729 1HG1 ILE 88 HG12 ILE 88 90.950 -2.487 -1.087 730 2HG1 ILE 88 HG11 ILE 88 90.104 -3.685 -2.062 731 1HG2 ILE 88 HG21 ILE 88 91.408 -3.738 1.369 732 2HG2 ILE 88 HG22 ILE 88 92.842 -3.267 0.460 733 3HG2 ILE 88 HG23 ILE 88 92.699 -4.905 1.092 734 1HD1 ILE 88 HD11 ILE 88 88.971 -4.424 0.118 735 2HD1 ILE 88 HD12 ILE 88 88.474 -2.866 -0.540 736 3HD1 ILE 88 HD13 ILE 88 89.598 -2.932 0.818 737 H ALA 89 HN ALA 89 92.630 -7.188 -1.243 738 HA ALA 89 HA ALA 89 94.941 -7.320 0.420 739 1HB ALA 89 HB1 ALA 89 93.332 -9.162 0.308 740 2HB ALA 89 HB2 ALA 89 94.937 -9.747 -0.129 741 3HB ALA 89 HB3 ALA 89 93.738 -9.440 -1.386 742 H GLY 90 HN GLY 90 94.609 -6.873 -2.963 743 1HA GLY 90 HA2 GLY 90 97.297 -7.900 -3.607 744 2HA GLY 90 HA1 GLY 90 96.162 -7.177 -4.743 745 H TYR 91 HN TYR 91 95.798 -4.803 -2.855 746 HA TYR 91 HA TYR 91 98.085 -3.287 -3.921 747 1HB TYR 91 HB2 TYR 91 95.580 -2.546 -2.407 748 2HB TYR 91 HB1 TYR 91 96.871 -1.373 -2.631 749 HD1 TYR 91 HD1 TYR 91 93.841 -2.362 -3.942 750 HD2 TYR 91 HD2 TYR 91 97.841 -1.459 -5.241 751 HE1 TYR 91 HE1 TYR 91 92.995 -1.831 -6.205 752 HE2 TYR 91 HE2 TYR 91 96.988 -0.949 -7.505 753 HH TYR 91 HH TYR 91 93.502 -1.069 -8.227 754 H ILE 92 HN ILE 92 97.162 -4.776 -0.937 755 HA ILE 92 HA ILE 92 98.806 -3.140 0.780 756 HB ILE 92 HB ILE 92 97.661 -5.916 1.139 757 1HG1 ILE 92 HG12 ILE 92 96.834 -3.227 2.276 758 2HG1 ILE 92 HG11 ILE 92 96.082 -3.977 0.865 759 1HG2 ILE 92 HG21 ILE 92 98.096 -5.356 3.610 760 2HG2 ILE 92 HG22 ILE 92 99.172 -4.089 3.020 761 3HG2 ILE 92 HG23 ILE 92 99.510 -5.778 2.645 762 1HD1 ILE 92 HD11 ILE 92 96.263 -5.367 3.549 763 2HD1 ILE 92 HD12 ILE 92 95.270 -5.812 2.164 764 3HD1 ILE 92 HD13 ILE 92 94.892 -4.360 3.085 765 H ASP 93 HN ASP 93 99.433 -5.845 -1.299 766 HA ASP 93 HA ASP 93 101.999 -6.504 -0.024 767 1HB ASP 93 HB2 ASP 93 100.547 -7.474 -2.489 768 2HB ASP 93 HB1 ASP 93 102.194 -7.980 -2.121 769 H ILE 94 HN ILE 94 100.830 -4.369 -2.463 770 HA ILE 94 HA ILE 94 103.432 -4.097 -3.810 771 HB ILE 94 HB ILE 94 100.903 -2.461 -4.109 772 1HG1 ILE 94 HG12 ILE 94 101.924 -4.772 -5.792 773 2HG1 ILE 94 HG11 ILE 94 100.657 -4.927 -4.577 774 1HG2 ILE 94 HG21 ILE 94 102.828 -1.284 -4.974 775 2HG2 ILE 94 HG22 ILE 94 101.959 -1.961 -6.351 776 3HG2 ILE 94 HG23 ILE 94 103.427 -2.744 -5.761 777 1HD1 ILE 94 HD11 ILE 94 99.447 -3.044 -5.839 778 2HD1 ILE 94 HD12 ILE 94 99.499 -4.619 -6.627 779 3HD1 ILE 94 HD13 ILE 94 100.595 -3.337 -7.144 780 H ILE 95 HN ILE 95 101.641 -2.512 -1.268 781 HA ILE 95 HA ILE 95 103.316 -0.091 -1.353 782 HB ILE 95 HB ILE 95 102.107 0.485 0.753 783 1HG1 ILE 95 HG12 ILE 95 100.851 -2.234 0.277 784 2HG1 ILE 95 HG11 ILE 95 101.774 -1.723 1.689 785 1HG2 ILE 95 HG21 ILE 95 100.016 0.923 -0.316 786 2HG2 ILE 95 HG22 ILE 95 100.185 -0.479 -1.372 787 3HG2 ILE 95 HG23 ILE 95 101.224 0.927 -1.600 788 1HD1 ILE 95 HD11 ILE 95 100.001 0.100 2.007 789 2HD1 ILE 95 HD12 ILE 95 99.492 -1.552 2.348 790 3HD1 ILE 95 HD13 ILE 95 99.033 -0.785 0.828 791 H LEU 96 HN LEU 96 103.057 -3.062 0.485 792 HA LEU 96 HA LEU 96 105.091 -2.331 2.427 793 1HB LEU 96 HB2 LEU 96 103.476 -4.737 1.715 794 2HB LEU 96 HB1 LEU 96 104.980 -5.046 2.584 795 HG LEU 96 HG LEU 96 103.058 -2.934 3.579 796 1HD1 LEU 96 HD11 LEU 96 102.189 -4.813 5.117 797 2HD1 LEU 96 HD12 LEU 96 102.861 -5.927 3.924 798 3HD1 LEU 96 HD13 LEU 96 101.594 -4.794 3.456 799 1HD2 LEU 96 HD21 LEU 96 104.069 -3.645 5.771 800 2HD2 LEU 96 HD22 LEU 96 105.253 -3.001 4.638 801 3HD2 LEU 96 HD23 LEU 96 105.124 -4.742 4.884 802 H LYS 97 HN LYS 97 105.077 -3.606 -0.776 803 HA LYS 97 HA LYS 97 107.571 -4.991 -0.773 804 1HB LYS 97 HB2 LYS 97 106.048 -5.240 -2.628 805 2HB LYS 97 HB1 LYS 97 106.117 -3.516 -2.973 806 1HG LYS 97 HG2 LYS 97 108.773 -4.862 -2.944 807 2HG LYS 97 HG1 LYS 97 107.695 -5.410 -4.217 808 1HD LYS 97 HD2 LYS 97 107.347 -3.042 -4.910 809 2HD LYS 97 HD1 LYS 97 108.519 -2.549 -3.691 810 1HE LYS 97 HE2 LYS 97 110.293 -3.729 -4.779 811 2HE LYS 97 HE1 LYS 97 109.166 -4.564 -5.848 812 1HZ LYS 97 HZ1 LYS 97 109.152 -1.643 -5.882 813 2HZ LYS 97 HZ2 LYS 97 108.898 -2.746 -7.150 814 3HZ LYS 97 HZ3 LYS 97 110.474 -2.422 -6.605 815 H LYS 98 HN LYS 98 106.765 -1.568 -1.255 816 HA LYS 98 HA LYS 98 109.457 -0.764 -1.920 817 1HB LYS 98 HB2 LYS 98 107.212 0.885 -0.717 818 2HB LYS 98 HB1 LYS 98 108.635 1.513 -1.541 819 1HG LYS 98 HG2 LYS 98 106.690 -0.374 -2.889 820 2HG LYS 98 HG1 LYS 98 106.485 1.375 -2.933 821 1HD LYS 98 HD2 LYS 98 108.882 1.491 -3.837 822 2HD LYS 98 HD1 LYS 98 108.765 -0.254 -4.065 823 1HE LYS 98 HE2 LYS 98 106.851 0.012 -5.535 824 2HE LYS 98 HE1 LYS 98 106.808 1.748 -5.223 825 1HZ LYS 98 HZ1 LYS 98 108.265 0.408 -7.172 826 2HZ LYS 98 HZ2 LYS 98 109.395 1.000 -6.049 827 3HZ LYS 98 HZ3 LYS 98 108.305 2.063 -6.803 828 H LYS 99 HN LYS 99 107.535 -0.477 1.081 829 HA LYS 99 HA LYS 99 109.716 0.486 2.663 830 1HB LYS 99 HB2 LYS 99 107.073 -0.799 3.307 831 2HB LYS 99 HB1 LYS 99 108.216 -0.391 4.583 832 1HG LYS 99 HG2 LYS 99 106.490 1.396 4.097 833 2HG LYS 99 HG1 LYS 99 108.162 1.942 3.995 834 1HD LYS 99 HD2 LYS 99 108.130 1.891 1.605 835 2HD LYS 99 HD1 LYS 99 106.610 0.994 1.577 836 1HE LYS 99 HE2 LYS 99 106.902 3.788 2.711 837 2HE LYS 99 HE1 LYS 99 106.342 3.441 1.075 838 1HZ LYS 99 HZ1 LYS 99 105.076 2.457 3.574 839 2HZ LYS 99 HZ2 LYS 99 104.533 2.146 1.995 840 3HZ LYS 99 HZ3 LYS 99 104.496 3.728 2.613 841 H LYS 100 HN LYS 100 108.911 -2.638 1.479 842 HA LYS 100 HA LYS 100 109.799 -4.768 1.926 843 1HB LYS 100 HB2 LYS 100 112.170 -3.013 2.633 844 2HB LYS 100 HB1 LYS 100 112.252 -4.756 2.377 845 1HG LYS 100 HG2 LYS 100 111.441 -4.481 0.078 846 2HG LYS 100 HG1 LYS 100 111.291 -2.741 0.325 847 1HD LYS 100 HD2 LYS 100 113.689 -2.530 0.668 848 2HD LYS 100 HD1 LYS 100 113.888 -4.281 0.589 849 1HE LYS 100 HE2 LYS 100 112.854 -2.539 -1.668 850 2HE LYS 100 HE1 LYS 100 114.483 -3.207 -1.562 851 1HZ LYS 100 HZ1 LYS 100 111.979 -4.521 -2.212 852 2HZ LYS 100 HZ2 LYS 100 113.024 -5.398 -1.200 853 3HZ LYS 100 HZ3 LYS 100 113.556 -4.873 -2.726 854 1H SER 1 HT1 SER 1 87.701 -18.881 7.830 855 2H SER 1 HT2 SER 1 87.335 -17.485 6.934 856 3H SER 1 HT3 SER 1 86.084 -18.435 7.581 857 HA SER 1 HA SER 1 86.088 -17.233 9.420 858 1HB SER 1 HB2 SER 1 87.739 -18.914 10.197 859 2HB SER 1 HB1 SER 1 89.043 -17.914 9.563 860 HG SER 1 HG SER 1 88.792 -17.429 11.721 861 H TRP 2 HN TRP 2 88.114 -15.522 10.536 862 HA TRP 2 HA TRP 2 87.759 -13.210 8.823 863 1HB TRP 2 HB2 TRP 2 89.107 -13.761 11.454 864 2HB TRP 2 HB1 TRP 2 89.525 -12.276 10.607 865 HD1 TRP 2 HD1 TRP 2 86.836 -13.864 12.669 866 HE1 TRP 2 HE1 TRP 2 84.909 -12.183 13.019 867 HE3 TRP 2 HE3 TRP 2 88.214 -10.254 9.346 868 HZ2 TRP 2 HZ2 TRP 2 84.072 -9.633 12.014 869 HZ3 TRP 2 HZ3 TRP 2 86.844 -8.208 9.061 870 HH2 TRP 2 HH2 TRP 2 84.782 -7.895 10.391 871 H VAL 3 HN VAL 3 89.953 -11.815 8.621 872 HA VAL 3 HA VAL 3 92.271 -13.389 7.798 873 HB VAL 3 HB VAL 3 91.072 -13.626 5.755 874 1HG1 VAL 3 HG11 VAL 3 90.392 -10.698 6.051 875 2HG1 VAL 3 HG12 VAL 3 89.273 -12.050 6.251 876 3HG1 VAL 3 HG13 VAL 3 89.959 -11.696 4.664 877 1HG2 VAL 3 HG21 VAL 3 92.617 -11.081 5.235 878 2HG2 VAL 3 HG22 VAL 3 92.471 -12.509 4.211 879 3HG2 VAL 3 HG23 VAL 3 93.450 -12.573 5.681 880 1HN PTR 4 HN PTR 4 94.105 -12.132 8.021 881 HA PTR 4 HA PTR 4 93.680 -9.233 8.696 882 1HB PTR 4 HB1 PTR 4 95.961 -9.598 9.889 883 2HB PTR 4 HB2 PTR 4 95.617 -11.317 9.709 884 HD1 PTR 4 HD1 PTR 4 93.003 -11.901 10.326 885 HD2 PTR 4 HD2 PTR 4 95.318 -8.649 11.928 886 HE1 PTR 4 HE1 PTR 4 91.514 -11.809 12.300 887 HE2 PTR 4 HE2 PTR 4 93.824 -8.564 13.904 888 H SER 5 HN SER 5 96.236 -8.316 8.562 889 HA SER 5 HA SER 5 97.184 -8.898 5.790 890 1HB SER 5 HB2 SER 5 97.572 -6.317 5.707 891 2HB SER 5 HB1 SER 5 95.941 -6.925 5.461 892 HG SER 5 HG SER 5 96.005 -5.226 6.986 893 HA PRO 6 HA PRO 6 101.186 -8.979 7.693 894 1HB PRO 6 HB2 PRO 6 102.576 -7.452 5.677 895 2HB PRO 6 HB1 PRO 6 102.518 -9.212 5.843 896 1HG PRO 6 HG2 PRO 6 101.129 -7.529 3.889 897 2HG PRO 6 HG1 PRO 6 101.252 -9.295 3.932 898 1HD PRO 6 HD2 PRO 6 98.932 -7.756 4.528 899 2HD PRO 6 HD1 PRO 6 99.150 -9.494 4.818 900 H LEU 7 HN LEU 7 99.779 -5.964 6.586 901 HA LEU 7 HA LEU 7 101.498 -4.037 7.619 902 1HB LEU 7 HB2 LEU 7 98.474 -4.044 7.851 903 2HB LEU 7 HB1 LEU 7 99.509 -2.623 7.955 904 HG LEU 7 HG LEU 7 99.618 -4.403 5.518 905 1HD1 LEU 7 HD11 LEU 7 97.594 -2.248 6.156 906 2HD1 LEU 7 HD12 LEU 7 97.289 -3.896 5.608 907 3HD1 LEU 7 HD13 LEU 7 97.982 -2.713 4.500 908 1HD2 LEU 7 HD21 LEU 7 100.253 -2.224 4.456 909 2HD2 LEU 7 HD22 LEU 7 101.365 -2.705 5.733 910 3HD2 LEU 7 HD23 LEU 7 100.156 -1.457 6.039 911 H HIS 8 HN HIS 8 102.343 -3.777 9.624 912 HA HIS 8 HA HIS 8 101.311 -5.293 11.883 913 1HB HIS 8 HB2 HIS 8 103.104 -3.900 13.115 914 2HB HIS 8 HB1 HIS 8 103.665 -5.005 11.862 915 HD1 HIS 8 HD1 HIS 8 105.543 -3.824 10.711 916 HD2 HIS 8 HD2 HIS 8 102.309 -1.283 11.389 917 HE1 HIS 8 HE1 HIS 8 106.117 -1.622 9.601 Start of MODEL 8 1 1H LEU 1 HT1 LEU 1 87.707 16.348 -10.249 2 2H LEU 1 HT2 LEU 1 86.792 14.918 -10.170 3 3H LEU 1 HT3 LEU 1 87.592 15.341 -11.608 4 HA LEU 1 HA LEU 1 89.245 14.030 -10.936 5 1HB LEU 1 HB2 LEU 1 89.459 16.348 -9.004 6 2HB LEU 1 HB1 LEU 1 90.670 15.069 -9.068 7 HG LEU 1 HG LEU 1 90.960 15.530 -11.511 8 1HD1 LEU 1 HD11 LEU 1 90.088 17.886 -12.184 9 2HD1 LEU 1 HD12 LEU 1 88.952 17.687 -10.850 10 3HD1 LEU 1 HD13 LEU 1 88.942 16.547 -12.196 11 1HD2 LEU 1 HD21 LEU 1 92.214 17.642 -11.178 12 2HD2 LEU 1 HD22 LEU 1 92.475 16.523 -9.840 13 3HD2 LEU 1 HD23 LEU 1 91.377 17.888 -9.645 14 H LYS 2 HN LYS 2 90.361 13.387 -8.476 15 HA LYS 2 HA LYS 2 90.040 11.771 -6.812 16 1HB LYS 2 HB2 LYS 2 87.792 13.739 -6.386 17 2HB LYS 2 HB1 LYS 2 88.032 12.366 -5.303 18 1HG LYS 2 HG2 LYS 2 89.189 14.424 -4.507 19 2HG LYS 2 HG1 LYS 2 90.306 13.099 -4.812 20 1HD LYS 2 HD2 LYS 2 91.093 14.063 -6.817 21 2HD LYS 2 HD1 LYS 2 89.707 15.148 -6.942 22 1HE LYS 2 HE2 LYS 2 91.648 16.426 -6.217 23 2HE LYS 2 HE1 LYS 2 90.507 16.319 -4.877 24 1HZ LYS 2 HZ1 LYS 2 92.606 14.281 -5.158 25 2HZ LYS 2 HZ2 LYS 2 91.816 14.828 -3.757 26 3HZ LYS 2 HZ3 LYS 2 93.002 15.792 -4.499 27 H THR 3 HN THR 3 88.584 11.527 -9.530 28 HA THR 3 HA THR 3 87.023 9.140 -8.747 29 HB THR 3 HB THR 3 85.366 10.991 -8.745 30 HG1 THR 3 HG1 THR 3 85.033 9.389 -11.047 31 1HG2 THR 3 HG21 THR 3 85.677 11.284 -11.710 32 2HG2 THR 3 HG22 THR 3 86.778 12.186 -10.670 33 3HG2 THR 3 HG23 THR 3 85.037 12.432 -10.537 34 H TYR 4 HN TYR 4 89.457 9.157 -10.011 35 HA TYR 4 HA TYR 4 88.738 7.997 -12.633 36 1HB TYR 4 HB2 TYR 4 89.339 10.513 -12.868 37 2HB TYR 4 HB1 TYR 4 90.989 10.007 -12.519 38 HD1 TYR 4 HD1 TYR 4 88.507 10.347 -15.055 39 HD2 TYR 4 HD2 TYR 4 91.943 8.038 -13.934 40 HE1 TYR 4 HE1 TYR 4 88.778 9.614 -17.409 41 HE2 TYR 4 HE2 TYR 4 92.220 7.303 -16.286 42 HH TYR 4 HH TYR 4 89.804 7.761 -18.647 43 H GLY 5 HN GLY 5 89.899 6.157 -12.923 44 1HA GLY 5 HA2 GLY 5 91.790 4.716 -12.847 45 2HA GLY 5 HA1 GLY 5 92.640 5.920 -11.879 46 H VAL 6 HN VAL 6 89.611 5.524 -10.580 47 HA VAL 6 HA VAL 6 90.658 3.652 -8.487 48 HB VAL 6 HB VAL 6 88.347 5.617 -8.363 49 1HG1 VAL 6 HG11 VAL 6 88.607 5.173 -5.890 50 2HG1 VAL 6 HG12 VAL 6 89.697 3.850 -6.307 51 3HG1 VAL 6 HG13 VAL 6 88.011 3.798 -6.821 52 1HG2 VAL 6 HG21 VAL 6 90.524 6.755 -8.560 53 2HG2 VAL 6 HG22 VAL 6 91.169 5.767 -7.249 54 3HG2 VAL 6 HG23 VAL 6 89.886 6.933 -6.926 55 H SER 7 HN SER 7 89.552 1.741 -8.081 56 HA SER 7 HA SER 7 87.456 0.991 -10.022 57 1HB SER 7 HB2 SER 7 88.515 -0.757 -7.810 58 2HB SER 7 HB1 SER 7 87.834 -1.234 -9.359 59 HG SER 7 HG SER 7 90.001 0.430 -9.560 60 H PHE 8 HN PHE 8 85.466 1.670 -9.485 61 HA PHE 8 HA PHE 8 84.582 1.897 -6.684 62 1HB PHE 8 HB2 PHE 8 82.860 2.200 -9.150 63 2HB PHE 8 HB1 PHE 8 82.656 2.954 -7.570 64 HD1 PHE 8 HD1 PHE 8 84.031 4.848 -6.881 65 HD2 PHE 8 HD2 PHE 8 84.545 3.010 -10.726 66 HE1 PHE 8 HE1 PHE 8 85.392 6.784 -7.623 67 HE2 PHE 8 HE2 PHE 8 85.906 4.944 -11.471 68 HZ PHE 8 HZ PHE 8 86.330 6.833 -9.919 69 H PHE 9 HN PHE 9 82.737 0.710 -5.866 70 HA PHE 9 HA PHE 9 81.981 -1.769 -7.357 71 1HB PHE 9 HB2 PHE 9 83.211 -1.555 -4.611 72 2HB PHE 9 HB1 PHE 9 82.092 -2.869 -4.960 73 HD1 PHE 9 HD1 PHE 9 85.286 -1.279 -6.023 74 HD2 PHE 9 HD2 PHE 9 82.755 -4.741 -6.276 75 HE1 PHE 9 HE1 PHE 9 87.115 -2.537 -7.131 76 HE2 PHE 9 HE2 PHE 9 84.584 -5.999 -7.383 77 HZ PHE 9 HZ PHE 9 86.762 -4.895 -7.812 78 H LEU 10 HN LEU 10 79.786 -2.183 -7.162 79 HA LEU 10 HA LEU 10 78.159 -0.191 -5.785 80 1HB LEU 10 HB2 LEU 10 77.465 -1.249 -7.945 81 2HB LEU 10 HB1 LEU 10 77.297 -2.784 -7.098 82 HG LEU 10 HG LEU 10 75.709 -1.386 -5.478 83 1HD1 LEU 10 HD11 LEU 10 76.163 0.792 -6.469 84 2HD1 LEU 10 HD12 LEU 10 74.477 0.351 -6.740 85 3HD1 LEU 10 HD13 LEU 10 75.649 0.208 -8.051 86 1HD2 LEU 10 HD21 LEU 10 74.861 -2.170 -8.286 87 2HD2 LEU 10 HD22 LEU 10 73.793 -1.993 -6.894 88 3HD2 LEU 10 HD23 LEU 10 75.004 -3.276 -6.920 89 H VAL 11 HN VAL 11 78.226 -0.309 -3.616 90 HA VAL 11 HA VAL 11 77.613 -2.948 -2.321 91 HB VAL 11 HB VAL 11 78.787 -2.194 -0.367 92 1HG1 VAL 11 HG11 VAL 11 81.012 -2.157 -1.178 93 2HG1 VAL 11 HG12 VAL 11 80.560 -1.272 -2.635 94 3HG1 VAL 11 HG13 VAL 11 80.111 -2.967 -2.458 95 1HG2 VAL 11 HG21 VAL 11 78.193 0.116 -0.236 96 2HG2 VAL 11 HG22 VAL 11 78.904 0.460 -1.813 97 3HG2 VAL 11 HG23 VAL 11 79.945 0.092 -0.441 98 H LYS 12 HN LYS 12 75.995 -2.856 -0.664 99 HA LYS 12 HA LYS 12 74.231 -0.434 -0.874 100 1HB LYS 12 HB2 LYS 12 73.741 -3.336 -0.822 101 2HB LYS 12 HB1 LYS 12 72.734 -2.470 0.328 102 1HG LYS 12 HG2 LYS 12 71.823 -1.065 -1.399 103 2HG LYS 12 HG1 LYS 12 73.003 -1.652 -2.580 104 1HD LYS 12 HD2 LYS 12 72.025 -3.964 -2.264 105 2HD LYS 12 HD1 LYS 12 70.753 -3.217 -1.300 106 1HE LYS 12 HE2 LYS 12 69.929 -3.433 -3.561 107 2HE LYS 12 HE1 LYS 12 70.245 -1.723 -3.264 108 1HZ LYS 12 HZ1 LYS 12 71.155 -2.985 -5.389 109 2HZ LYS 12 HZ2 LYS 12 72.444 -3.313 -4.332 110 3HZ LYS 12 HZ3 LYS 12 72.002 -1.706 -4.665 111 H GLU 13 HN GLU 13 73.475 0.530 0.986 112 HA GLU 13 HA GLU 13 74.889 -0.233 3.528 113 1HB GLU 13 HB2 GLU 13 74.047 2.433 2.387 114 2HB GLU 13 HB1 GLU 13 74.401 2.240 4.101 115 1HG GLU 13 HG2 GLU 13 76.357 1.295 2.003 116 2HG GLU 13 HG1 GLU 13 76.338 2.973 2.534 117 H LYS 14 HN LYS 14 73.624 0.262 5.511 118 HA LYS 14 HA LYS 14 70.718 -0.281 5.084 119 1HB LYS 14 HB2 LYS 14 71.876 -0.521 7.827 120 2HB LYS 14 HB1 LYS 14 70.744 -1.576 6.989 121 1HG LYS 14 HG2 LYS 14 73.728 -1.422 6.448 122 2HG LYS 14 HG1 LYS 14 72.929 -2.672 7.389 123 1HD LYS 14 HD2 LYS 14 72.039 -2.133 4.550 124 2HD LYS 14 HD1 LYS 14 73.456 -3.124 4.871 125 1HE LYS 14 HE2 LYS 14 70.661 -3.634 5.928 126 2HE LYS 14 HE1 LYS 14 71.487 -4.556 4.675 127 1HZ LYS 14 HZ1 LYS 14 71.927 -5.811 6.515 128 2HZ LYS 14 HZ2 LYS 14 71.996 -4.477 7.564 129 3HZ LYS 14 HZ3 LYS 14 73.290 -4.802 6.512 130 H MET 15 HN MET 15 69.360 1.347 5.433 131 HA MET 15 HA MET 15 70.201 3.886 6.500 132 1HB MET 15 HB2 MET 15 67.567 2.692 5.674 133 2HB MET 15 HB1 MET 15 67.600 4.233 6.502 134 1HG MET 15 HG2 MET 15 69.538 4.101 4.286 135 2HG MET 15 HG1 MET 15 67.870 3.904 3.763 136 1HE MET 15 HE1 MET 15 70.529 5.901 5.389 137 2HE MET 15 HE2 MET 15 70.011 7.578 5.277 138 3HE MET 15 HE3 MET 15 70.364 6.675 3.808 139 H LYS 16 HN LYS 16 69.510 4.855 8.466 140 HA LYS 16 HA LYS 16 69.956 4.134 10.865 141 1HB LYS 16 HB2 LYS 16 67.041 4.778 10.714 142 2HB LYS 16 HB1 LYS 16 68.281 5.437 11.769 143 1HG LYS 16 HG2 LYS 16 67.958 7.220 10.315 144 2HG LYS 16 HG1 LYS 16 69.304 6.393 9.545 145 1HD LYS 16 HD2 LYS 16 68.064 6.208 7.642 146 2HD LYS 16 HD1 LYS 16 66.937 5.156 8.496 147 1HE LYS 16 HE2 LYS 16 65.544 7.014 9.110 148 2HE LYS 16 HE1 LYS 16 66.760 8.184 8.599 149 1HZ LYS 16 HZ1 LYS 16 66.284 6.537 6.426 150 2HZ LYS 16 HZ2 LYS 16 65.835 8.166 6.609 151 3HZ LYS 16 HZ3 LYS 16 64.759 6.930 7.055 152 H GLY 17 HN GLY 17 66.670 3.029 10.021 153 1HA GLY 17 HA2 GLY 17 67.305 0.390 11.281 154 2HA GLY 17 HA1 GLY 17 65.894 1.299 11.820 155 H LYS 18 HN LYS 18 65.738 2.219 8.815 156 HA LYS 18 HA LYS 18 63.625 0.540 8.030 157 1HB LYS 18 HB2 LYS 18 65.411 1.507 5.819 158 2HB LYS 18 HB1 LYS 18 63.661 1.640 5.998 159 1HG LYS 18 HG2 LYS 18 65.753 3.265 7.421 160 2HG LYS 18 HG1 LYS 18 64.608 3.843 6.223 161 1HD LYS 18 HD2 LYS 18 62.892 2.765 8.074 162 2HD LYS 18 HD1 LYS 18 64.200 3.287 9.127 163 1HE LYS 18 HE2 LYS 18 62.679 5.130 8.970 164 2HE LYS 18 HE1 LYS 18 64.073 5.550 7.976 165 1HZ LYS 18 HZ1 LYS 18 62.551 5.920 6.402 166 2HZ LYS 18 HZ2 LYS 18 61.347 5.023 7.199 167 3HZ LYS 18 HZ3 LYS 18 62.503 4.233 6.236 168 H ASN 19 HN ASN 19 63.543 -1.569 7.439 169 HA ASN 19 HA ASN 19 65.889 -3.211 7.294 170 1HB ASN 19 HB2 ASN 19 63.026 -3.578 6.432 171 2HB ASN 19 HB1 ASN 19 64.235 -4.810 6.085 172 1HD2 ASN 19 HD21 ASN 19 62.158 -5.530 7.801 173 2HD2 ASN 19 HD22 ASN 19 62.731 -5.647 9.394 174 H LYS 20 HN LYS 20 64.814 -0.836 5.315 175 HA LYS 20 HA LYS 20 65.200 -1.909 2.697 176 1HB LYS 20 HB2 LYS 20 64.323 0.481 3.773 177 2HB LYS 20 HB1 LYS 20 65.845 0.955 3.044 178 1HG LYS 20 HG2 LYS 20 64.330 1.235 1.278 179 2HG LYS 20 HG1 LYS 20 64.995 -0.359 0.966 180 1HD LYS 20 HD2 LYS 20 62.748 -0.889 0.791 181 2HD LYS 20 HD1 LYS 20 62.939 -1.115 2.526 182 1HE LYS 20 HE2 LYS 20 61.669 1.168 1.050 183 2HE LYS 20 HE1 LYS 20 61.052 0.259 2.423 184 1HZ LYS 20 HZ1 LYS 20 62.061 2.650 2.703 185 2HZ LYS 20 HZ2 LYS 20 63.520 1.784 2.785 186 3HZ LYS 20 HZ3 LYS 20 62.273 1.459 3.891 187 H LEU 21 HN LEU 21 66.996 -0.515 1.371 188 HA LEU 21 HA LEU 21 69.629 -0.702 2.746 189 1HB LEU 21 HB2 LEU 21 69.335 -1.839 -0.043 190 2HB LEU 21 HB1 LEU 21 70.621 -2.098 1.123 191 HG LEU 21 HG LEU 21 67.810 -3.093 1.636 192 1HD1 LEU 21 HD11 LEU 21 70.069 -4.670 0.390 193 2HD1 LEU 21 HD12 LEU 21 68.703 -4.024 -0.521 194 3HD1 LEU 21 HD13 LEU 21 68.434 -5.237 0.729 195 1HD2 LEU 21 HD21 LEU 21 70.451 -4.196 2.608 196 2HD2 LEU 21 HD22 LEU 21 68.843 -4.462 3.282 197 3HD2 LEU 21 HD23 LEU 21 69.628 -2.898 3.465 198 H VAL 22 HN VAL 22 71.316 0.508 1.549 199 HA VAL 22 HA VAL 22 70.157 2.522 -0.356 200 HB VAL 22 HB VAL 22 71.754 2.888 2.144 201 1HG1 VAL 22 HG11 VAL 22 72.106 4.561 -0.358 202 2HG1 VAL 22 HG12 VAL 22 73.361 3.841 0.648 203 3HG1 VAL 22 HG13 VAL 22 72.423 5.204 1.253 204 1HG2 VAL 22 HG21 VAL 22 69.368 3.460 2.050 205 2HG2 VAL 22 HG22 VAL 22 69.666 4.547 0.695 206 3HG2 VAL 22 HG23 VAL 22 70.339 4.914 2.280 207 HA PRO 23 HA PRO 23 73.527 0.691 -2.836 208 1HB PRO 23 HB2 PRO 23 72.973 2.943 -4.682 209 2HB PRO 23 HB1 PRO 23 72.930 1.217 -5.012 210 1HG PRO 23 HG2 PRO 23 70.678 2.824 -4.784 211 2HG PRO 23 HG1 PRO 23 70.674 1.073 -4.518 212 1HD PRO 23 HD2 PRO 23 70.457 3.252 -2.523 213 2HD PRO 23 HD1 PRO 23 70.016 1.533 -2.369 214 H ARG 24 HN ARG 24 75.693 1.318 -3.122 215 HA ARG 24 HA ARG 24 76.486 4.132 -2.816 216 1HB ARG 24 HB2 ARG 24 76.226 2.760 -0.467 217 2HB ARG 24 HB1 ARG 24 77.875 2.331 -0.872 218 1HG ARG 24 HG2 ARG 24 78.161 4.304 0.357 219 2HG ARG 24 HG1 ARG 24 78.218 4.875 -1.303 220 1HD ARG 24 HD2 ARG 24 76.007 5.726 -1.207 221 2HD ARG 24 HD1 ARG 24 75.604 4.810 0.233 222 HE ARG 24 HE ARG 24 76.740 7.452 0.113 223 1HH1 ARG 24 HH21 ARG 24 77.064 4.484 1.851 224 2HH1 ARG 24 HH22 ARG 24 77.856 5.225 3.202 225 1HH2 ARG 24 HH11 ARG 24 77.753 8.413 1.860 226 2HH2 ARG 24 HH12 ARG 24 78.243 7.442 3.207 227 H LEU 25 HN LEU 25 78.705 4.431 -3.484 228 HA LEU 25 HA LEU 25 79.807 2.090 -4.991 229 1HB LEU 25 HB2 LEU 25 79.973 5.072 -5.374 230 2HB LEU 25 HB1 LEU 25 81.108 3.990 -6.172 231 HG LEU 25 HG LEU 25 78.092 3.748 -6.372 232 1HD1 LEU 25 HD11 LEU 25 80.007 4.913 -8.412 233 2HD1 LEU 25 HD12 LEU 25 79.001 5.883 -7.338 234 3HD1 LEU 25 HD13 LEU 25 78.250 4.828 -8.533 235 1HD2 LEU 25 HD21 LEU 25 78.862 1.658 -7.028 236 2HD2 LEU 25 HD22 LEU 25 80.419 2.273 -7.574 237 3HD2 LEU 25 HD23 LEU 25 78.981 2.501 -8.567 238 H LEU 26 HN LEU 26 81.911 1.437 -4.554 239 HA LEU 26 HA LEU 26 83.349 2.861 -2.338 240 1HB LEU 26 HB2 LEU 26 82.411 0.842 -1.429 241 2HB LEU 26 HB1 LEU 26 82.941 -0.100 -2.816 242 HG LEU 26 HG LEU 26 85.249 0.107 -2.186 243 1HD1 LEU 26 HD11 LEU 26 84.203 2.190 -0.267 244 2HD1 LEU 26 HD12 LEU 26 85.493 2.338 -1.461 245 3HD1 LEU 26 HD13 LEU 26 85.757 1.401 0.007 246 1HD2 LEU 26 HD21 LEU 26 83.514 -0.405 0.248 247 2HD2 LEU 26 HD22 LEU 26 85.212 -0.861 0.114 248 3HD2 LEU 26 HD23 LEU 26 84.015 -1.598 -0.951 249 H GLY 27 HN GLY 27 85.053 3.781 -3.288 250 1HA GLY 27 HA2 GLY 27 86.447 2.557 -5.551 251 2HA GLY 27 HA1 GLY 27 86.756 4.145 -4.890 252 H ILE 28 HN ILE 28 88.298 1.444 -5.425 253 HA ILE 28 HA ILE 28 89.787 1.409 -2.815 254 HB ILE 28 HB ILE 28 89.558 -0.715 -4.987 255 1HG1 ILE 28 HG12 ILE 28 88.767 -2.034 -2.859 256 2HG1 ILE 28 HG11 ILE 28 88.488 -0.439 -2.172 257 1HG2 ILE 28 HG21 ILE 28 91.308 -0.509 -2.533 258 2HG2 ILE 28 HG22 ILE 28 91.802 -0.801 -4.201 259 3HG2 ILE 28 HG23 ILE 28 90.944 -2.052 -3.304 260 1HD1 ILE 28 HD11 ILE 28 87.343 -1.282 -4.844 261 2HD1 ILE 28 HD12 ILE 28 86.882 0.102 -3.856 262 3HD1 ILE 28 HD13 ILE 28 86.493 -1.529 -3.322 263 H THR 29 HN THR 29 91.556 2.732 -3.069 264 HA THR 29 HA THR 29 92.771 3.020 -5.759 265 HB THR 29 HB THR 29 93.782 4.404 -3.278 266 HG1 THR 29 HG1 THR 29 92.109 6.032 -4.123 267 1HG2 THR 29 HG21 THR 29 94.150 6.231 -4.924 268 2HG2 THR 29 HG22 THR 29 93.483 5.200 -6.189 269 3HG2 THR 29 HG23 THR 29 94.985 4.747 -5.383 270 H LYS 30 HN LYS 30 95.241 3.009 -5.793 271 HA LYS 30 HA LYS 30 96.160 0.453 -4.772 272 1HB LYS 30 HB2 LYS 30 98.408 1.418 -5.752 273 2HB LYS 30 HB1 LYS 30 97.100 0.982 -6.852 274 1HG LYS 30 HG2 LYS 30 96.421 3.224 -7.134 275 2HG LYS 30 HG1 LYS 30 97.314 3.771 -5.715 276 1HD LYS 30 HD2 LYS 30 99.443 3.245 -6.870 277 2HD LYS 30 HD1 LYS 30 98.533 2.750 -8.298 278 1HE LYS 30 HE2 LYS 30 99.106 4.990 -8.766 279 2HE LYS 30 HE1 LYS 30 97.450 5.107 -8.169 280 1HZ LYS 30 HZ1 LYS 30 98.155 5.895 -6.125 281 2HZ LYS 30 HZ2 LYS 30 99.211 6.674 -7.204 282 3HZ LYS 30 HZ3 LYS 30 99.739 5.322 -6.321 283 H GLU 31 HN GLU 31 95.861 3.458 -3.377 284 HA GLU 31 HA GLU 31 97.817 2.740 -1.253 285 1HB GLU 31 HB2 GLU 31 97.652 5.442 -2.607 286 2HB GLU 31 HB1 GLU 31 98.651 5.064 -1.207 287 1HG GLU 31 HG2 GLU 31 99.652 3.196 -2.668 288 2HG GLU 31 HG1 GLU 31 98.902 4.031 -4.020 289 H CYS 32 HN CYS 32 94.696 3.376 -1.942 290 HA CYS 32 HA CYS 32 94.070 3.998 0.802 291 1HB CYS 32 HB2 CYS 32 92.845 6.262 -0.130 292 2HB CYS 32 HB1 CYS 32 94.439 6.267 0.602 293 HG CYS 32 HG CYS 32 94.026 6.155 -2.497 294 H VAL 33 HN VAL 33 91.742 4.217 1.165 295 HA VAL 33 HA VAL 33 90.071 3.030 -1.037 296 HB VAL 33 HB VAL 33 89.792 2.721 1.978 297 1HG1 VAL 33 HG11 VAL 33 87.611 2.751 0.879 298 2HG1 VAL 33 HG12 VAL 33 87.998 1.100 1.360 299 3HG1 VAL 33 HG13 VAL 33 88.172 1.590 -0.325 300 1HG2 VAL 33 HG21 VAL 33 90.191 0.264 1.326 301 2HG2 VAL 33 HG22 VAL 33 91.593 1.332 1.279 302 3HG2 VAL 33 HG23 VAL 33 90.773 0.887 -0.218 303 H MET 34 HN MET 34 87.929 4.026 -1.255 304 HA MET 34 HA MET 34 87.473 6.421 0.480 305 1HB MET 34 HB2 MET 34 86.875 7.698 -1.659 306 2HB MET 34 HB1 MET 34 88.588 7.418 -1.363 307 1HG MET 34 HG2 MET 34 88.693 5.661 -2.952 308 2HG MET 34 HG1 MET 34 86.938 5.506 -3.009 309 1HE MET 34 HE1 MET 34 89.638 8.577 -5.034 310 2HE MET 34 HE2 MET 34 90.062 7.009 -4.352 311 3HE MET 34 HE3 MET 34 89.653 8.346 -3.281 312 H ARG 35 HN ARG 35 85.373 7.189 0.572 313 HA ARG 35 HA ARG 35 83.343 5.105 -0.102 314 1HB ARG 35 HB2 ARG 35 83.283 7.638 1.555 315 2HB ARG 35 HB1 ARG 35 81.813 6.775 1.137 316 1HG ARG 35 HG2 ARG 35 82.876 4.692 2.139 317 2HG ARG 35 HG1 ARG 35 84.144 5.746 2.772 318 1HD ARG 35 HD2 ARG 35 81.211 5.706 3.461 319 2HD ARG 35 HD1 ARG 35 82.597 5.657 4.544 320 HE ARG 35 HE ARG 35 82.812 8.116 3.266 321 1HH1 ARG 35 HH21 ARG 35 80.409 6.413 5.064 322 2HH1 ARG 35 HH22 ARG 35 79.697 7.848 5.723 323 1HH2 ARG 35 HH11 ARG 35 81.898 9.995 4.120 324 2HH2 ARG 35 HH12 ARG 35 80.540 9.875 5.188 325 H VAL 36 HN VAL 36 81.842 5.429 -1.717 326 HA VAL 36 HA VAL 36 81.735 8.113 -3.011 327 HB VAL 36 HB VAL 36 81.988 5.481 -4.485 328 1HG1 VAL 36 HG11 VAL 36 82.082 8.343 -5.488 329 2HG1 VAL 36 HG12 VAL 36 80.675 7.290 -5.627 330 3HG1 VAL 36 HG13 VAL 36 82.166 6.885 -6.475 331 1HG2 VAL 36 HG21 VAL 36 83.989 7.689 -3.958 332 2HG2 VAL 36 HG22 VAL 36 84.221 6.426 -5.164 333 3HG2 VAL 36 HG23 VAL 36 84.110 6.005 -3.455 334 H ASP 37 HN ASP 37 79.660 8.748 -3.233 335 HA ASP 37 HA ASP 37 77.486 6.976 -2.513 336 1HB ASP 37 HB2 ASP 37 77.593 9.534 -2.224 337 2HB ASP 37 HB1 ASP 37 77.201 9.630 -3.940 338 H GLU 38 HN GLU 38 75.871 6.137 -3.893 339 HA GLU 38 HA GLU 38 76.770 5.665 -6.673 340 1HB GLU 38 HB2 GLU 38 75.810 3.899 -5.036 341 2HB GLU 38 HB1 GLU 38 74.256 4.643 -5.364 342 1HG GLU 38 HG2 GLU 38 76.086 3.615 -7.541 343 2HG GLU 38 HG1 GLU 38 74.809 2.650 -6.803 344 H LYS 39 HN LYS 39 74.643 7.504 -4.816 345 HA LYS 39 HA LYS 39 72.695 8.175 -6.824 346 1HB LYS 39 HB2 LYS 39 72.323 8.323 -4.375 347 2HB LYS 39 HB1 LYS 39 73.500 9.625 -4.306 348 1HG LYS 39 HG2 LYS 39 72.109 10.959 -5.866 349 2HG LYS 39 HG1 LYS 39 70.909 9.665 -5.879 350 1HD LYS 39 HD2 LYS 39 70.737 9.900 -3.380 351 2HD LYS 39 HD1 LYS 39 71.779 11.319 -3.496 352 1HE LYS 39 HE2 LYS 39 70.083 12.221 -5.205 353 2HE LYS 39 HE1 LYS 39 69.007 10.945 -4.636 354 1HZ LYS 39 HZ1 LYS 39 70.021 13.298 -3.209 355 2HZ LYS 39 HZ2 LYS 39 69.672 11.893 -2.319 356 3HZ LYS 39 HZ3 LYS 39 68.456 12.647 -3.236 357 H THR 40 HN THR 40 75.423 9.951 -5.383 358 HA THR 40 HA THR 40 75.341 11.871 -7.669 359 HB THR 40 HB THR 40 77.020 12.158 -5.176 360 HG1 THR 40 HG1 THR 40 74.331 12.102 -5.383 361 1HG2 THR 40 HG21 THR 40 75.740 14.107 -7.112 362 2HG2 THR 40 HG22 THR 40 77.457 13.719 -7.004 363 3HG2 THR 40 HG23 THR 40 76.661 14.567 -5.679 364 H LYS 41 HN LYS 41 77.022 9.064 -6.776 365 HA LYS 41 HA LYS 41 79.100 8.202 -7.503 366 1HB LYS 41 HB2 LYS 41 78.898 10.260 -9.703 367 2HB LYS 41 HB1 LYS 41 79.654 8.668 -9.772 368 1HG LYS 41 HG2 LYS 41 77.345 7.697 -9.287 369 2HG LYS 41 HG1 LYS 41 76.704 9.309 -9.600 370 1HD LYS 41 HD2 LYS 41 78.267 7.563 -11.519 371 2HD LYS 41 HD1 LYS 41 76.580 8.055 -11.661 372 1HE LYS 41 HE2 LYS 41 77.509 10.483 -11.624 373 2HE LYS 41 HE1 LYS 41 79.062 9.734 -11.995 374 1HZ LYS 41 HZ1 LYS 41 76.594 9.776 -13.602 375 2HZ LYS 41 HZ2 LYS 41 77.735 8.536 -13.822 376 3HZ LYS 41 HZ3 LYS 41 78.180 10.157 -14.068 377 H GLU 42 HN GLU 42 78.943 10.739 -5.797 378 HA GLU 42 HA GLU 42 81.534 12.025 -6.513 379 1HB GLU 42 HB2 GLU 42 79.150 13.048 -5.517 380 2HB GLU 42 HB1 GLU 42 80.155 12.982 -4.077 381 1HG GLU 42 HG2 GLU 42 80.480 15.134 -5.115 382 2HG GLU 42 HG1 GLU 42 81.940 14.188 -5.376 383 H VAL 43 HN VAL 43 83.103 12.351 -4.680 384 HA VAL 43 HA VAL 43 83.440 9.819 -3.199 385 HB VAL 43 HB VAL 43 85.188 12.288 -3.430 386 1HG1 VAL 43 HG11 VAL 43 85.678 11.306 -1.307 387 2HG1 VAL 43 HG12 VAL 43 86.920 10.716 -2.410 388 3HG1 VAL 43 HG13 VAL 43 85.572 9.671 -1.961 389 1HG2 VAL 43 HG21 VAL 43 86.647 10.572 -4.655 390 2HG2 VAL 43 HG22 VAL 43 85.195 11.107 -5.500 391 3HG2 VAL 43 HG23 VAL 43 85.219 9.540 -4.693 392 H ILE 44 HN ILE 44 82.818 9.570 -1.115 393 HA ILE 44 HA ILE 44 81.985 11.985 0.408 394 HB ILE 44 HB ILE 44 81.492 9.099 1.132 395 1HG1 ILE 44 HG12 ILE 44 80.551 9.400 -1.076 396 2HG1 ILE 44 HG11 ILE 44 79.223 9.487 0.079 397 1HG2 ILE 44 HG21 ILE 44 79.813 9.977 2.570 398 2HG2 ILE 44 HG22 ILE 44 79.866 11.560 1.794 399 3HG2 ILE 44 HG23 ILE 44 81.208 11.029 2.804 400 1HD1 ILE 44 HD11 ILE 44 79.621 12.048 0.035 401 2HD1 ILE 44 HD12 ILE 44 78.843 11.318 -1.367 402 3HD1 ILE 44 HD13 ILE 44 80.554 11.737 -1.428 403 H GLN 45 HN GLN 45 84.338 9.364 0.448 404 HA GLN 45 HA GLN 45 85.755 10.771 2.604 405 1HB GLN 45 HB2 GLN 45 84.094 9.265 3.772 406 2HB GLN 45 HB1 GLN 45 84.952 7.895 3.075 407 1HG GLN 45 HG2 GLN 45 86.883 8.266 4.333 408 2HG GLN 45 HG1 GLN 45 86.498 9.964 4.623 409 1HE2 GLN 45 HE21 GLN 45 86.784 9.534 6.971 410 2HE2 GLN 45 HE22 GLN 45 85.550 8.764 7.843 411 H GLU 46 HN GLU 46 87.816 9.692 3.123 412 HA GLU 46 HA GLU 46 88.961 7.981 0.985 413 1HB GLU 46 HB2 GLU 46 89.760 10.778 1.709 414 2HB GLU 46 HB1 GLU 46 91.035 9.641 1.271 415 1HG GLU 46 HG2 GLU 46 90.004 9.208 -0.870 416 2HG GLU 46 HG1 GLU 46 88.584 10.160 -0.433 417 H TRP 47 HN TRP 47 90.529 6.562 1.779 418 HA TRP 47 HA TRP 47 91.497 6.947 4.567 419 1HB TRP 47 HB2 TRP 47 90.080 4.505 3.491 420 2HB TRP 47 HB1 TRP 47 91.107 4.440 4.913 421 HD1 TRP 47 HD1 TRP 47 90.253 7.048 6.436 422 HE1 TRP 47 HE1 TRP 47 87.888 7.257 7.420 423 HE3 TRP 47 HE3 TRP 47 87.794 3.565 3.614 424 HZ2 TRP 47 HZ2 TRP 47 85.311 6.106 7.086 425 HZ3 TRP 47 HZ3 TRP 47 85.381 3.137 3.982 426 HH2 TRP 47 HH2 TRP 47 84.139 4.399 5.716 427 H SER 48 HN SER 48 93.459 5.781 5.015 428 HA SER 48 HA SER 48 95.068 5.290 2.581 429 1HB SER 48 HB2 SER 48 96.853 4.860 4.496 430 2HB SER 48 HB1 SER 48 96.355 6.501 4.100 431 HG SER 48 HG SER 48 96.133 6.315 6.275 432 H LEU 49 HN LEU 49 95.882 3.244 2.024 433 HA LEU 49 HA LEU 49 94.366 0.970 2.895 434 1HB LEU 49 HB2 LEU 49 96.701 1.458 1.093 435 2HB LEU 49 HB1 LEU 49 96.511 -0.190 1.685 436 HG LEU 49 HG LEU 49 94.139 1.270 0.525 437 1HD1 LEU 49 HD11 LEU 49 95.648 1.530 -1.274 438 2HD1 LEU 49 HD12 LEU 49 94.797 0.035 -1.657 439 3HD1 LEU 49 HD13 LEU 49 96.420 -0.026 -0.970 440 1HD2 LEU 49 HD21 LEU 49 94.127 -1.042 1.763 441 2HD2 LEU 49 HD22 LEU 49 94.826 -1.659 0.269 442 3HD2 LEU 49 HD23 LEU 49 93.241 -0.889 0.248 443 H THR 50 HN THR 50 97.341 2.421 3.997 444 HA THR 50 HA THR 50 98.244 0.108 5.492 445 HB THR 50 HB THR 50 99.764 1.783 6.599 446 HG1 THR 50 HG1 THR 50 98.547 3.614 6.511 447 1HG2 THR 50 HG21 THR 50 99.666 1.978 3.578 448 2HG2 THR 50 HG22 THR 50 100.339 0.610 4.466 449 3HG2 THR 50 HG23 THR 50 101.084 2.203 4.602 450 H ASN 51 HN ASN 51 95.652 2.152 5.897 451 HA ASN 51 HA ASN 51 95.775 2.280 8.848 452 1HB ASN 51 HB2 ASN 51 94.811 4.115 7.361 453 2HB ASN 51 HB1 ASN 51 93.448 3.042 7.075 454 1HD2 ASN 51 HD21 ASN 51 92.818 5.395 8.348 455 2HD2 ASN 51 HD22 ASN 51 92.527 5.134 10.000 456 H ILE 52 HN ILE 52 94.275 0.338 6.343 457 HA ILE 52 HA ILE 52 92.224 -0.821 7.995 458 HB ILE 52 HB ILE 52 93.598 -2.080 5.605 459 1HG1 ILE 52 HG12 ILE 52 91.140 -0.295 5.676 460 2HG1 ILE 52 HG11 ILE 52 92.740 0.250 5.177 461 1HG2 ILE 52 HG21 ILE 52 92.212 -3.650 6.815 462 2HG2 ILE 52 HG22 ILE 52 91.324 -3.157 5.374 463 3HG2 ILE 52 HG23 ILE 52 90.906 -2.472 6.944 464 1HD1 ILE 52 HD11 ILE 52 90.958 -1.784 3.833 465 2HD1 ILE 52 HD12 ILE 52 92.685 -1.695 3.487 466 3HD1 ILE 52 HD13 ILE 52 91.646 -0.311 3.148 467 H LYS 53 HN LYS 53 92.440 -2.280 9.614 468 HA LYS 53 HA LYS 53 95.092 -3.494 10.115 469 1HB LYS 53 HB2 LYS 53 93.923 -2.504 12.017 470 2HB LYS 53 HB1 LYS 53 92.514 -3.523 11.717 471 1HG LYS 53 HG2 LYS 53 93.683 -5.503 12.318 472 2HG LYS 53 HG1 LYS 53 95.250 -4.700 12.227 473 1HD LYS 53 HD2 LYS 53 94.608 -3.268 14.151 474 2HD LYS 53 HD1 LYS 53 93.076 -4.134 14.265 475 1HE LYS 53 HE2 LYS 53 94.150 -6.170 14.867 476 2HE LYS 53 HE1 LYS 53 95.733 -5.572 14.372 477 1HZ LYS 53 HZ1 LYS 53 94.115 -4.642 16.680 478 2HZ LYS 53 HZ2 LYS 53 95.542 -3.885 16.151 479 3HZ LYS 53 HZ3 LYS 53 95.589 -5.479 16.737 480 H ARG 54 HN ARG 54 91.710 -4.600 9.706 481 HA ARG 54 HA ARG 54 92.696 -7.061 8.399 482 1HB ARG 54 HB2 ARG 54 91.246 -8.478 9.926 483 2HB ARG 54 HB1 ARG 54 92.691 -7.821 10.691 484 1HG ARG 54 HG2 ARG 54 91.489 -6.267 11.957 485 2HG ARG 54 HG1 ARG 54 90.144 -6.230 10.824 486 1HD ARG 54 HD2 ARG 54 89.262 -8.271 11.609 487 2HD ARG 54 HD1 ARG 54 90.767 -8.717 12.415 488 HE ARG 54 HE ARG 54 89.949 -6.336 13.644 489 1HH1 ARG 54 HH21 ARG 54 88.649 -9.472 13.031 490 2HH1 ARG 54 HH22 ARG 54 87.644 -9.476 14.442 491 1HH2 ARG 54 HH11 ARG 54 88.646 -6.326 15.490 492 2HH2 ARG 54 HH12 ARG 54 87.642 -7.694 15.834 493 H TRP 55 HN TRP 55 90.616 -8.446 7.851 494 HA TRP 55 HA TRP 55 88.163 -6.888 7.563 495 1HB TRP 55 HB2 TRP 55 88.114 -7.132 5.055 496 2HB TRP 55 HB1 TRP 55 89.329 -5.995 5.637 497 HD1 TRP 55 HD1 TRP 55 89.037 -9.667 4.492 498 HE1 TRP 55 HE1 TRP 55 91.306 -10.376 3.482 499 HE3 TRP 55 HE3 TRP 55 91.752 -5.455 5.401 500 HZ2 TRP 55 HZ2 TRP 55 93.921 -9.282 3.096 501 HZ3 TRP 55 HZ3 TRP 55 94.117 -5.304 4.706 502 HH2 TRP 55 HH2 TRP 55 95.211 -7.212 3.550 503 H ALA 56 HN ALA 56 86.528 -8.222 6.251 504 HA ALA 56 HA ALA 56 87.085 -11.135 6.298 505 1HB ALA 56 HB1 ALA 56 86.238 -10.941 8.505 506 2HB ALA 56 HB2 ALA 56 84.833 -11.417 7.550 507 3HB ALA 56 HB3 ALA 56 85.042 -9.734 8.034 508 H ALA 57 HN ALA 57 86.295 -11.875 4.379 509 HA ALA 57 HA ALA 57 84.217 -10.264 2.972 510 1HB ALA 57 HB1 ALA 57 86.128 -12.420 2.045 511 2HB ALA 57 HB2 ALA 57 86.172 -10.704 1.647 512 3HB ALA 57 HB3 ALA 57 84.876 -11.723 1.016 513 H SER 58 HN SER 58 82.172 -10.918 3.382 514 HA SER 58 HA SER 58 81.611 -13.739 4.009 515 1HB SER 58 HB2 SER 58 80.325 -11.167 4.494 516 2HB SER 58 HB1 SER 58 79.167 -12.331 3.860 517 HG SER 58 HG SER 58 80.012 -13.793 5.493 518 HA PRO 59 HA PRO 59 80.278 -14.882 -0.021 519 1HB PRO 59 HB2 PRO 59 77.691 -15.940 0.572 520 2HB PRO 59 HB1 PRO 59 79.212 -16.841 0.520 521 1HG PRO 59 HG2 PRO 59 77.664 -15.947 2.878 522 2HG PRO 59 HG1 PRO 59 78.927 -17.185 2.778 523 1HD PRO 59 HD2 PRO 59 79.230 -14.631 3.923 524 2HD PRO 59 HD1 PRO 59 80.558 -15.706 3.442 525 H LYS 60 HN LYS 60 78.886 -12.378 1.661 526 HA LYS 60 HA LYS 60 77.472 -11.415 -0.751 527 1HB LYS 60 HB2 LYS 60 75.395 -11.002 0.485 528 2HB LYS 60 HB1 LYS 60 75.789 -12.716 0.492 529 1HG LYS 60 HG2 LYS 60 77.001 -12.215 2.735 530 2HG LYS 60 HG1 LYS 60 76.061 -10.727 2.726 531 1HD LYS 60 HD2 LYS 60 74.003 -12.197 2.360 532 2HD LYS 60 HD1 LYS 60 75.045 -13.563 2.761 533 1HE LYS 60 HE2 LYS 60 74.630 -11.148 4.545 534 2HE LYS 60 HE1 LYS 60 73.803 -12.692 4.746 535 1HZ LYS 60 HZ1 LYS 60 76.432 -11.953 5.525 536 2HZ LYS 60 HZ2 LYS 60 76.469 -13.312 4.506 537 3HZ LYS 60 HZ3 LYS 60 75.543 -13.339 5.930 538 H SER 61 HN SER 61 79.252 -10.807 2.075 539 HA SER 61 HA SER 61 78.940 -7.862 1.645 540 1HB SER 61 HB2 SER 61 78.951 -9.081 4.406 541 2HB SER 61 HB1 SER 61 78.606 -7.415 3.959 542 HG SER 61 HG SER 61 76.822 -8.391 2.691 543 H PHE 62 HN PHE 62 80.615 -6.608 2.829 544 HA PHE 62 HA PHE 62 83.188 -8.100 3.197 545 1HB PHE 62 HB2 PHE 62 83.122 -6.958 0.965 546 2HB PHE 62 HB1 PHE 62 82.855 -5.425 1.791 547 HD1 PHE 62 HD1 PHE 62 85.180 -8.374 2.034 548 HD2 PHE 62 HD2 PHE 62 84.751 -4.102 2.168 549 HE1 PHE 62 HE1 PHE 62 87.619 -8.141 2.381 550 HE2 PHE 62 HE2 PHE 62 87.199 -3.875 2.506 551 HZ PHE 62 HZ PHE 62 88.629 -5.892 2.616 552 H THR 63 HN THR 63 84.423 -7.347 4.946 553 HA THR 63 HA THR 63 83.411 -4.919 6.407 554 HB THR 63 HB THR 63 84.072 -7.658 7.525 555 HG1 THR 63 HG1 THR 63 81.964 -7.484 6.950 556 1HG2 THR 63 HG21 THR 63 83.487 -6.449 9.750 557 2HG2 THR 63 HG22 THR 63 83.893 -4.969 8.881 558 3HG2 THR 63 HG23 THR 63 85.108 -6.233 9.089 559 H LEU 64 HN LEU 64 85.034 -3.621 7.264 560 HA LEU 64 HA LEU 64 87.845 -4.646 7.167 561 1HB LEU 64 HB2 LEU 64 88.448 -2.209 6.466 562 2HB LEU 64 HB1 LEU 64 87.903 -3.336 5.229 563 HG LEU 64 HG LEU 64 85.813 -1.714 6.642 564 1HD1 LEU 64 HD11 LEU 64 86.175 0.091 4.870 565 2HD1 LEU 64 HD12 LEU 64 87.768 -0.620 4.613 566 3HD1 LEU 64 HD13 LEU 64 87.345 0.051 6.188 567 1HD2 LEU 64 HD21 LEU 64 84.597 -2.007 4.647 568 2HD2 LEU 64 HD22 LEU 64 85.504 -3.513 4.757 569 3HD2 LEU 64 HD23 LEU 64 86.051 -2.232 3.679 570 H ASP 65 HN ASP 65 89.272 -3.538 8.643 571 HA ASP 65 HA ASP 65 87.881 -1.964 10.790 572 1HB ASP 65 HB2 ASP 65 90.043 -3.993 11.373 573 2HB ASP 65 HB1 ASP 65 88.923 -3.238 12.501 574 H PHE 66 HN PHE 66 88.968 -0.150 11.376 575 HA PHE 66 HA PHE 66 91.652 0.322 10.160 576 1HB PHE 66 HB2 PHE 66 89.618 2.186 11.420 577 2HB PHE 66 HB1 PHE 66 91.189 2.703 10.802 578 HD1 PHE 66 HD1 PHE 66 91.759 2.073 8.351 579 HD2 PHE 66 HD2 PHE 66 87.773 2.031 9.954 580 HE1 PHE 66 HE1 PHE 66 90.834 2.169 6.054 581 HE2 PHE 66 HE2 PHE 66 86.849 2.129 7.655 582 HZ PHE 66 HZ PHE 66 88.382 2.194 5.706 583 H GLY 67 HN GLY 67 90.364 -0.816 12.971 584 1HA GLY 67 HA2 GLY 67 91.452 -1.288 15.018 585 2HA GLY 67 HA1 GLY 67 92.847 -0.371 14.444 586 H ASP 68 HN ASP 68 90.438 1.674 13.819 587 HA ASP 68 HA ASP 68 90.887 3.180 16.324 588 1HB ASP 68 HB2 ASP 68 89.223 4.102 13.992 589 2HB ASP 68 HB1 ASP 68 90.121 5.072 15.153 590 H TYR 69 HN TYR 69 89.570 2.319 17.915 591 HA TYR 69 HA TYR 69 87.067 1.146 17.712 592 1HB TYR 69 HB2 TYR 69 88.260 1.285 19.836 593 2HB TYR 69 HB1 TYR 69 88.049 3.036 19.867 594 HD1 TYR 69 HD1 TYR 69 86.078 4.004 20.753 595 HD2 TYR 69 HD2 TYR 69 86.171 -0.183 19.806 596 HE1 TYR 69 HE1 TYR 69 83.865 3.710 21.837 597 HE2 TYR 69 HE2 TYR 69 83.960 -0.479 20.890 598 HH TYR 69 HH TYR 69 82.577 0.634 22.570 599 H GLN 70 HN GLN 70 87.724 4.624 18.110 600 HA GLN 70 HA GLN 70 85.112 5.606 18.135 601 1HB GLN 70 HB2 GLN 70 86.293 7.536 16.635 602 2HB GLN 70 HB1 GLN 70 86.600 7.361 18.354 603 1HG GLN 70 HG2 GLN 70 88.277 5.803 16.415 604 2HG GLN 70 HG1 GLN 70 88.623 7.508 16.675 605 1HE2 GLN 70 HE21 GLN 70 90.121 4.952 17.543 606 2HE2 GLN 70 HE22 GLN 70 90.353 5.162 19.211 607 H ASP 71 HN ASP 71 87.102 5.267 15.172 608 HA ASP 71 HA ASP 71 84.983 5.722 13.356 609 1HB ASP 71 HB2 ASP 71 87.531 5.560 12.930 610 2HB ASP 71 HB1 ASP 71 87.251 3.831 12.782 611 H GLY 72 HN GLY 72 86.044 2.826 15.024 612 1HA GLY 72 HA2 GLY 72 84.954 0.770 15.329 613 2HA GLY 72 HA1 GLY 72 83.494 1.542 14.714 614 H TYR 73 HN TYR 73 83.720 -0.957 13.871 615 HA TYR 73 HA TYR 73 85.351 -1.289 11.503 616 1HB TYR 73 HB2 TYR 73 82.861 -2.852 12.204 617 2HB TYR 73 HB1 TYR 73 84.218 -3.381 11.218 618 HD1 TYR 73 HD1 TYR 73 86.593 -2.992 12.498 619 HD2 TYR 73 HD2 TYR 73 82.809 -3.745 14.370 620 HE1 TYR 73 HE1 TYR 73 87.765 -3.854 14.505 621 HE2 TYR 73 HE2 TYR 73 83.975 -4.606 16.383 622 HH TYR 73 HH TYR 73 85.973 -4.769 17.422 623 H TYR 74 HN TYR 74 84.514 -1.525 9.327 624 HA TYR 74 HA TYR 74 81.990 -0.038 8.763 625 1HB TYR 74 HB2 TYR 74 83.984 1.426 8.388 626 2HB TYR 74 HB1 TYR 74 84.597 0.231 7.247 627 HD1 TYR 74 HD1 TYR 74 81.695 2.475 7.932 628 HD2 TYR 74 HD2 TYR 74 83.843 0.184 5.003 629 HE1 TYR 74 HE1 TYR 74 80.308 3.472 6.134 630 HE2 TYR 74 HE2 TYR 74 82.458 1.180 3.204 631 HH TYR 74 HH TYR 74 80.571 2.368 2.787 632 H SER 75 HN SER 75 80.748 -1.650 7.952 633 HA SER 75 HA SER 75 81.886 -3.366 5.783 634 1HB SER 75 HB2 SER 75 81.603 -4.590 7.969 635 2HB SER 75 HB1 SER 75 79.878 -4.259 7.865 636 HG SER 75 HG SER 75 80.554 -6.316 6.978 637 H VAL 76 HN VAL 76 80.377 -4.081 4.224 638 HA VAL 76 HA VAL 76 77.665 -2.910 4.224 639 HB VAL 76 HB VAL 76 78.029 -1.868 1.978 640 1HG1 VAL 76 HG11 VAL 76 79.998 -0.743 3.981 641 2HG1 VAL 76 HG12 VAL 76 78.254 -0.638 4.223 642 3HG1 VAL 76 HG13 VAL 76 78.998 0.133 2.822 643 1HG2 VAL 76 HG21 VAL 76 80.951 -2.428 2.602 644 2HG2 VAL 76 HG22 VAL 76 80.354 -1.498 1.229 645 3HG2 VAL 76 HG23 VAL 76 80.010 -3.223 1.340 646 H GLN 77 HN GLN 77 76.543 -3.678 2.074 647 HA GLN 77 HA GLN 77 77.019 -6.539 1.900 648 1HB GLN 77 HB2 GLN 77 75.146 -4.731 0.361 649 2HB GLN 77 HB1 GLN 77 75.111 -6.488 0.315 650 1HG GLN 77 HG2 GLN 77 73.477 -5.893 1.932 651 2HG GLN 77 HG1 GLN 77 74.883 -6.383 2.876 652 1HE2 GLN 77 HE21 GLN 77 72.997 -3.571 1.804 653 2HE2 GLN 77 HE22 GLN 77 73.688 -2.476 2.902 654 H THR 78 HN THR 78 77.727 -7.698 0.103 655 HA THR 78 HA THR 78 78.587 -6.280 -2.331 656 HB THR 78 HB THR 78 80.880 -7.142 -2.205 657 HG1 THR 78 HG1 THR 78 79.783 -8.474 -0.086 658 1HG2 THR 78 HG21 THR 78 80.262 -5.715 0.389 659 2HG2 THR 78 HG22 THR 78 80.244 -4.905 -1.176 660 3HG2 THR 78 HG23 THR 78 81.738 -5.617 -0.571 661 H THR 79 HN THR 79 78.076 -7.605 -4.001 662 HA THR 79 HA THR 79 77.018 -10.232 -3.572 663 HB THR 79 HB THR 79 78.123 -9.112 -6.162 664 HG1 THR 79 HG1 THR 79 75.559 -8.858 -4.975 665 1HG2 THR 79 HG21 THR 79 77.607 -11.504 -6.212 666 2HG2 THR 79 HG22 THR 79 76.418 -10.612 -7.160 667 3HG2 THR 79 HG23 THR 79 76.005 -11.190 -5.546 668 H GLU 80 HN GLU 80 80.207 -9.001 -4.265 669 HA GLU 80 HA GLU 80 81.287 -11.743 -4.609 670 1HB GLU 80 HB2 GLU 80 82.663 -9.063 -4.870 671 2HB GLU 80 HB1 GLU 80 83.339 -10.631 -5.311 672 1HG GLU 80 HG2 GLU 80 80.798 -9.528 -6.524 673 2HG GLU 80 HG1 GLU 80 82.382 -9.308 -7.249 674 H GLY 81 HN GLY 81 82.364 -8.833 -2.908 675 1HA GLY 81 HA2 GLY 81 83.174 -8.564 -0.717 676 2HA GLY 81 HA1 GLY 81 82.481 -10.137 -0.328 677 H GLU 82 HN GLU 82 83.942 -11.477 -2.524 678 HA GLU 82 HA GLU 82 86.410 -12.006 -1.070 679 1HB GLU 82 HB2 GLU 82 85.422 -13.906 -2.105 680 2HB GLU 82 HB1 GLU 82 85.175 -13.050 -3.620 681 1HG GLU 82 HG2 GLU 82 87.453 -13.129 -4.181 682 2HG GLU 82 HG1 GLU 82 87.940 -13.507 -2.537 683 H GLN 83 HN GLN 83 85.714 -10.932 -4.389 684 HA GLN 83 HA GLN 83 88.311 -10.206 -5.149 685 1HB GLN 83 HB2 GLN 83 85.840 -8.627 -5.860 686 2HB GLN 83 HB1 GLN 83 87.311 -8.772 -6.806 687 1HG GLN 83 HG2 GLN 83 86.876 -11.131 -7.188 688 2HG GLN 83 HG1 GLN 83 85.475 -11.067 -6.134 689 1HE2 GLN 83 HE21 GLN 83 83.805 -11.417 -7.624 690 2HE2 GLN 83 HE22 GLN 83 83.500 -10.414 -8.956 691 H ILE 84 HN ILE 84 85.890 -8.364 -3.391 692 HA ILE 84 HA ILE 84 87.208 -5.889 -3.161 693 HB ILE 84 HB ILE 84 85.744 -7.257 -0.893 694 1HG1 ILE 84 HG12 ILE 84 84.375 -7.561 -2.861 695 2HG1 ILE 84 HG11 ILE 84 83.679 -6.248 -1.920 696 1HG2 ILE 84 HG21 ILE 84 86.794 -5.102 -0.365 697 2HG2 ILE 84 HG22 ILE 84 85.039 -4.937 -0.386 698 3HG2 ILE 84 HG23 ILE 84 85.995 -4.359 -1.750 699 1HD1 ILE 84 HD11 ILE 84 85.115 -4.687 -3.413 700 2HD1 ILE 84 HD12 ILE 84 83.680 -5.419 -4.127 701 3HD1 ILE 84 HD13 ILE 84 85.274 -6.087 -4.472 702 H ALA 85 HN ALA 85 87.726 -8.940 -1.501 703 HA ALA 85 HA ALA 85 89.759 -7.815 0.303 704 1HB ALA 85 HB1 ALA 85 88.175 -9.786 0.820 705 2HB ALA 85 HB2 ALA 85 89.872 -9.981 1.258 706 3HB ALA 85 HB3 ALA 85 89.243 -10.749 -0.200 707 H GLN 86 HN GLN 86 89.623 -9.676 -2.701 708 HA GLN 86 HA GLN 86 92.485 -10.202 -2.739 709 1HB GLN 86 HB2 GLN 86 90.630 -11.526 -3.931 710 2HB GLN 86 HB1 GLN 86 90.651 -10.241 -5.124 711 1HG GLN 86 HG2 GLN 86 93.170 -10.628 -5.274 712 2HG GLN 86 HG1 GLN 86 92.883 -12.113 -4.379 713 1HE2 GLN 86 HE21 GLN 86 93.866 -12.695 -6.770 714 2HE2 GLN 86 HE22 GLN 86 92.672 -13.148 -7.883 715 H LEU 87 HN LEU 87 90.310 -7.839 -4.171 716 HA LEU 87 HA LEU 87 92.296 -6.550 -5.795 717 1HB LEU 87 HB2 LEU 87 89.906 -6.226 -6.227 718 2HB LEU 87 HB1 LEU 87 89.692 -5.524 -4.626 719 HG LEU 87 HG LEU 87 91.136 -3.643 -5.214 720 1HD1 LEU 87 HD11 LEU 87 91.716 -3.535 -7.790 721 2HD1 LEU 87 HD12 LEU 87 91.580 -5.290 -7.704 722 3HD1 LEU 87 HD13 LEU 87 92.762 -4.447 -6.703 723 1HD2 LEU 87 HD21 LEU 87 89.720 -2.731 -7.127 724 2HD2 LEU 87 HD22 LEU 87 88.819 -3.329 -5.734 725 3HD2 LEU 87 HD23 LEU 87 88.945 -4.314 -7.191 726 H ILE 88 HN ILE 88 91.067 -6.094 -2.542 727 HA ILE 88 HA ILE 88 92.746 -3.775 -2.007 728 HB ILE 88 HB ILE 88 91.042 -5.579 -0.269 729 1HG1 ILE 88 HG12 ILE 88 90.734 -2.662 -1.054 730 2HG1 ILE 88 HG11 ILE 88 89.939 -3.994 -1.888 731 1HG2 ILE 88 HG21 ILE 88 92.737 -3.172 0.471 732 2HG2 ILE 88 HG22 ILE 88 92.793 -4.785 1.183 733 3HG2 ILE 88 HG23 ILE 88 91.404 -3.741 1.475 734 1HD1 ILE 88 HD11 ILE 88 89.501 -3.013 0.929 735 2HD1 ILE 88 HD12 ILE 88 89.029 -4.644 0.454 736 3HD1 ILE 88 HD13 ILE 88 88.313 -3.248 -0.351 737 H ALA 89 HN ALA 89 92.743 -7.194 -0.947 738 HA ALA 89 HA ALA 89 95.166 -7.065 0.549 739 1HB ALA 89 HB1 ALA 89 95.264 -9.501 0.285 740 2HB ALA 89 HB2 ALA 89 94.070 -9.425 -1.009 741 3HB ALA 89 HB3 ALA 89 93.613 -8.995 0.642 742 H GLY 90 HN GLY 90 94.581 -6.913 -2.820 743 1HA GLY 90 HA2 GLY 90 97.232 -7.888 -3.609 744 2HA GLY 90 HA1 GLY 90 96.021 -7.192 -4.682 745 H TYR 91 HN TYR 91 95.717 -4.760 -2.943 746 HA TYR 91 HA TYR 91 98.003 -3.298 -4.087 747 1HB TYR 91 HB2 TYR 91 95.543 -2.418 -2.561 748 2HB TYR 91 HB1 TYR 91 96.806 -1.297 -3.046 749 HD1 TYR 91 HD1 TYR 91 93.675 -2.362 -3.950 750 HD2 TYR 91 HD2 TYR 91 97.564 -1.815 -5.712 751 HE1 TYR 91 HE1 TYR 91 92.640 -2.126 -6.182 752 HE2 TYR 91 HE2 TYR 91 96.518 -1.603 -7.941 753 HH TYR 91 HH TYR 91 93.878 -2.601 -8.844 754 H ILE 92 HN ILE 92 96.930 -4.410 -0.948 755 HA ILE 92 HA ILE 92 98.580 -2.703 0.632 756 HB ILE 92 HB ILE 92 97.552 -5.484 1.212 757 1HG1 ILE 92 HG12 ILE 92 96.508 -2.743 1.997 758 2HG1 ILE 92 HG11 ILE 92 95.864 -3.707 0.671 759 1HG2 ILE 92 HG21 ILE 92 97.866 -4.694 3.610 760 2HG2 ILE 92 HG22 ILE 92 98.804 -3.348 2.963 761 3HG2 ILE 92 HG23 ILE 92 99.362 -5.005 2.731 762 1HD1 ILE 92 HD11 ILE 92 95.022 -5.361 2.122 763 2HD1 ILE 92 HD12 ILE 92 94.673 -3.855 2.966 764 3HD1 ILE 92 HD13 ILE 92 96.046 -4.844 3.460 765 H ASP 93 HN ASP 93 99.295 -5.572 -1.195 766 HA ASP 93 HA ASP 93 101.860 -6.040 0.163 767 1HB ASP 93 HB2 ASP 93 100.460 -7.275 -2.213 768 2HB ASP 93 HB1 ASP 93 102.118 -7.700 -1.793 769 H ILE 94 HN ILE 94 100.670 -4.194 -2.501 770 HA ILE 94 HA ILE 94 103.298 -3.961 -3.809 771 HB ILE 94 HB ILE 94 100.710 -2.490 -4.357 772 1HG1 ILE 94 HG12 ILE 94 101.899 -4.903 -5.765 773 2HG1 ILE 94 HG11 ILE 94 100.615 -5.009 -4.561 774 1HG2 ILE 94 HG21 ILE 94 101.858 -2.248 -6.637 775 2HG2 ILE 94 HG22 ILE 94 103.338 -2.768 -5.831 776 3HG2 ILE 94 HG23 ILE 94 102.533 -1.283 -5.325 777 1HD1 ILE 94 HD11 ILE 94 99.509 -4.980 -6.674 778 2HD1 ILE 94 HD12 ILE 94 100.520 -3.664 -7.266 779 3HD1 ILE 94 HD13 ILE 94 99.313 -3.355 -6.020 780 H ILE 95 HN ILE 95 101.419 -2.216 -1.455 781 HA ILE 95 HA ILE 95 102.949 0.276 -1.800 782 HB ILE 95 HB ILE 95 101.729 0.991 0.253 783 1HG1 ILE 95 HG12 ILE 95 100.608 -1.821 0.071 784 2HG1 ILE 95 HG11 ILE 95 101.557 -1.147 1.395 785 1HG2 ILE 95 HG21 ILE 95 99.833 -0.302 -1.711 786 2HG2 ILE 95 HG22 ILE 95 100.788 1.121 -2.121 787 3HG2 ILE 95 HG23 ILE 95 99.607 1.198 -0.813 788 1HD1 ILE 95 HD11 ILE 95 98.758 -0.371 0.553 789 2HD1 ILE 95 HD12 ILE 95 99.731 0.618 1.640 790 3HD1 ILE 95 HD13 ILE 95 99.279 -1.021 2.108 791 H LEU 96 HN LEU 96 102.909 -2.527 0.299 792 HA LEU 96 HA LEU 96 104.827 -1.523 2.207 793 1HB LEU 96 HB2 LEU 96 103.616 -4.164 1.498 794 2HB LEU 96 HB1 LEU 96 105.092 -4.197 2.460 795 HG LEU 96 HG LEU 96 102.762 -2.428 3.236 796 1HD1 LEU 96 HD11 LEU 96 103.145 -5.379 3.747 797 2HD1 LEU 96 HD12 LEU 96 101.701 -4.541 3.181 798 3HD1 LEU 96 HD13 LEU 96 102.218 -4.371 4.859 799 1HD2 LEU 96 HD21 LEU 96 103.785 -2.941 5.544 800 2HD2 LEU 96 HD22 LEU 96 104.740 -1.914 4.479 801 3HD2 LEU 96 HD23 LEU 96 105.157 -3.616 4.671 802 H LYS 97 HN LYS 97 105.057 -2.938 -0.949 803 HA LYS 97 HA LYS 97 107.809 -3.797 -0.766 804 1HB LYS 97 HB2 LYS 97 106.507 -4.771 -2.495 805 2HB LYS 97 HB1 LYS 97 105.955 -3.203 -3.067 806 1HG LYS 97 HG2 LYS 97 108.916 -3.594 -3.091 807 2HG LYS 97 HG1 LYS 97 108.019 -4.597 -4.221 808 1HD LYS 97 HD2 LYS 97 107.399 -1.655 -4.072 809 2HD LYS 97 HD1 LYS 97 108.819 -2.190 -4.954 810 1HE LYS 97 HE2 LYS 97 107.381 -3.716 -6.295 811 2HE LYS 97 HE1 LYS 97 105.968 -3.099 -5.440 812 1HZ LYS 97 HZ1 LYS 97 107.101 -2.042 -7.700 813 2HZ LYS 97 HZ2 LYS 97 107.581 -0.987 -6.459 814 3HZ LYS 97 HZ3 LYS 97 105.932 -1.304 -6.718 815 H LYS 98 HN LYS 98 106.242 -0.851 -2.031 816 HA LYS 98 HA LYS 98 108.556 0.491 -2.922 817 1HB LYS 98 HB2 LYS 98 106.159 1.740 -1.547 818 2HB LYS 98 HB1 LYS 98 107.272 2.549 -2.644 819 1HG LYS 98 HG2 LYS 98 105.637 0.137 -3.468 820 2HG LYS 98 HG1 LYS 98 105.054 1.787 -3.662 821 1HD LYS 98 HD2 LYS 98 107.242 2.245 -4.934 822 2HD LYS 98 HD1 LYS 98 107.452 0.495 -4.973 823 1HE LYS 98 HE2 LYS 98 106.339 1.157 -7.017 824 2HE LYS 98 HE1 LYS 98 105.166 0.314 -6.006 825 1HZ LYS 98 HZ1 LYS 98 104.986 2.891 -7.031 826 2HZ LYS 98 HZ2 LYS 98 105.167 3.049 -5.349 827 3HZ LYS 98 HZ3 LYS 98 103.901 2.111 -5.986 828 H LYS 99 HN LYS 99 107.412 -0.149 0.305 829 HA LYS 99 HA LYS 99 109.032 1.865 1.603 830 1HB LYS 99 HB2 LYS 99 107.036 1.002 2.698 831 2HB LYS 99 HB1 LYS 99 107.695 -0.631 2.659 832 1HG LYS 99 HG2 LYS 99 109.473 -0.034 4.163 833 2HG LYS 99 HG1 LYS 99 109.051 1.675 4.073 834 1HD LYS 99 HD2 LYS 99 106.762 1.012 5.010 835 2HD LYS 99 HD1 LYS 99 107.476 -0.562 5.364 836 1HE LYS 99 HE2 LYS 99 109.253 0.575 6.688 837 2HE LYS 99 HE1 LYS 99 108.451 2.118 6.393 838 1HZ LYS 99 HZ1 LYS 99 106.971 1.697 7.971 839 2HZ LYS 99 HZ2 LYS 99 107.928 0.372 8.437 840 3HZ LYS 99 HZ3 LYS 99 106.632 0.151 7.360 841 H LYS 100 HN LYS 100 109.328 -1.654 1.107 842 HA LYS 100 HA LYS 100 112.185 -1.501 1.992 843 1HB LYS 100 HB2 LYS 100 110.234 -3.799 1.722 844 2HB LYS 100 HB1 LYS 100 111.963 -4.042 1.972 845 1HG LYS 100 HG2 LYS 100 111.910 -2.882 4.075 846 2HG LYS 100 HG1 LYS 100 110.263 -2.319 3.789 847 1HD LYS 100 HD2 LYS 100 110.193 -4.203 5.331 848 2HD LYS 100 HD1 LYS 100 109.495 -4.699 3.790 849 1HE LYS 100 HE2 LYS 100 111.403 -5.957 3.195 850 2HE LYS 100 HE1 LYS 100 112.422 -5.143 4.382 851 1HZ LYS 100 HZ1 LYS 100 111.154 -6.185 6.144 852 2HZ LYS 100 HZ2 LYS 100 111.799 -7.364 5.104 853 3HZ LYS 100 HZ3 LYS 100 110.153 -6.952 5.010 854 1H SER 1 HT1 SER 1 86.203 -16.574 10.744 855 2H SER 1 HT2 SER 1 85.786 -17.917 9.790 856 3H SER 1 HT3 SER 1 85.635 -16.345 9.163 857 HA SER 1 HA SER 1 88.227 -17.510 10.004 858 1HB SER 1 HB2 SER 1 87.280 -18.844 8.161 859 2HB SER 1 HB1 SER 1 86.979 -17.374 7.240 860 HG SER 1 HG SER 1 89.380 -17.052 7.672 861 H TRP 2 HN TRP 2 88.550 -15.330 10.912 862 HA TRP 2 HA TRP 2 88.327 -12.960 9.298 863 1HB TRP 2 HB2 TRP 2 89.695 -13.684 11.876 864 2HB TRP 2 HB1 TRP 2 90.171 -12.183 11.088 865 HD1 TRP 2 HD1 TRP 2 87.588 -13.616 13.304 866 HE1 TRP 2 HE1 TRP 2 85.695 -11.907 13.692 867 HE3 TRP 2 HE3 TRP 2 88.729 -10.211 9.683 868 HZ2 TRP 2 HZ2 TRP 2 84.793 -9.414 12.606 869 HZ3 TRP 2 HZ3 TRP 2 87.345 -8.177 9.382 870 HH2 TRP 2 HH2 TRP 2 85.386 -7.776 10.837 871 H VAL 3 HN VAL 3 90.483 -11.624 8.973 872 HA VAL 3 HA VAL 3 92.780 -13.222 8.122 873 HB VAL 3 HB VAL 3 91.546 -13.479 6.111 874 1HG1 VAL 3 HG11 VAL 3 90.385 -11.575 5.030 875 2HG1 VAL 3 HG12 VAL 3 90.836 -10.555 6.396 876 3HG1 VAL 3 HG13 VAL 3 89.742 -11.921 6.636 877 1HG2 VAL 3 HG21 VAL 3 93.917 -12.364 5.987 878 2HG2 VAL 3 HG22 VAL 3 93.027 -10.924 5.481 879 3HG2 VAL 3 HG23 VAL 3 92.918 -12.405 4.531 880 1HN PTR 4 HN PTR 4 94.632 -11.977 8.238 881 HA PTR 4 HA PTR 4 94.256 -9.077 8.936 882 1HB PTR 4 HB1 PTR 4 96.589 -9.459 10.020 883 2HB PTR 4 HB2 PTR 4 96.225 -11.176 9.852 884 HD1 PTR 4 HD1 PTR 4 93.641 -11.745 10.589 885 HD2 PTR 4 HD2 PTR 4 96.047 -8.509 12.086 886 HE1 PTR 4 HE1 PTR 4 92.245 -11.647 12.629 887 HE2 PTR 4 HE2 PTR 4 94.644 -8.415 14.126 888 H SER 5 HN SER 5 96.195 -7.714 8.385 889 HA SER 5 HA SER 5 97.159 -8.395 5.644 890 1HB SER 5 HB2 SER 5 97.687 -5.835 5.705 891 2HB SER 5 HB1 SER 5 96.011 -6.343 5.561 892 HG SER 5 HG SER 5 95.991 -6.213 7.931 893 HA PRO 6 HA PRO 6 101.321 -8.793 7.134 894 1HB PRO 6 HB2 PRO 6 102.597 -7.201 5.100 895 2HB PRO 6 HB1 PRO 6 102.441 -8.962 5.142 896 1HG PRO 6 HG2 PRO 6 100.972 -7.045 3.477 897 2HG PRO 6 HG1 PRO 6 101.008 -8.811 3.356 898 1HD PRO 6 HD2 PRO 6 98.834 -7.243 4.300 899 2HD PRO 6 HD1 PRO 6 99.000 -9.004 4.442 900 H LEU 7 HN LEU 7 99.920 -5.674 6.436 901 HA LEU 7 HA LEU 7 101.813 -3.856 7.349 902 1HB LEU 7 HB2 LEU 7 98.864 -3.823 8.056 903 2HB LEU 7 HB1 LEU 7 99.942 -2.432 8.046 904 HG LEU 7 HG LEU 7 99.605 -4.081 5.539 905 1HD1 LEU 7 HD11 LEU 7 97.324 -3.567 6.127 906 2HD1 LEU 7 HD12 LEU 7 97.814 -2.421 4.879 907 3HD1 LEU 7 HD13 LEU 7 97.754 -1.915 6.568 908 1HD2 LEU 7 HD21 LEU 7 100.138 -1.925 4.469 909 2HD2 LEU 7 HD22 LEU 7 101.377 -2.339 5.652 910 3HD2 LEU 7 HD23 LEU 7 100.150 -1.135 6.045 911 H HIS 8 HN HIS 8 102.117 -2.871 9.498 912 HA HIS 8 HA HIS 8 102.514 -4.820 11.560 913 1HB HIS 8 HB2 HIS 8 102.536 -1.796 11.531 914 2HB HIS 8 HB1 HIS 8 102.847 -2.716 13.001 915 HD1 HIS 8 HD1 HIS 8 104.959 -4.330 12.963 916 HD2 HIS 8 HD2 HIS 8 104.676 -1.730 9.717 917 HE1 HIS 8 HE1 HIS 8 107.226 -4.342 11.836 Start of MODEL 9 1 1H LEU 1 HT1 LEU 1 85.910 12.295 -11.075 2 2H LEU 1 HT2 LEU 1 86.094 10.745 -11.746 3 3H LEU 1 HT3 LEU 1 86.425 12.125 -12.681 4 HA LEU 1 HA LEU 1 88.175 10.668 -11.040 5 1HB LEU 1 HB2 LEU 1 88.338 13.108 -12.817 6 2HB LEU 1 HB1 LEU 1 89.756 12.508 -11.957 7 HG LEU 1 HG LEU 1 89.400 10.272 -13.003 8 1HD1 LEU 1 HD11 LEU 1 87.128 11.766 -14.319 9 2HD1 LEU 1 HD12 LEU 1 87.085 10.207 -13.494 10 3HD1 LEU 1 HD13 LEU 1 87.853 10.347 -15.074 11 1HD2 LEU 1 HD21 LEU 1 90.116 10.963 -15.284 12 2HD2 LEU 1 HD22 LEU 1 90.954 11.872 -14.026 13 3HD2 LEU 1 HD23 LEU 1 89.626 12.617 -14.916 14 H LYS 2 HN LYS 2 86.523 11.619 -9.122 15 HA LYS 2 HA LYS 2 87.129 14.146 -8.013 16 1HB LYS 2 HB2 LYS 2 86.174 11.541 -6.832 17 2HB LYS 2 HB1 LYS 2 86.487 12.939 -5.801 18 1HG LYS 2 HG2 LYS 2 84.100 12.749 -6.582 19 2HG LYS 2 HG1 LYS 2 84.874 14.272 -6.999 20 1HD LYS 2 HD2 LYS 2 85.194 13.598 -9.269 21 2HD LYS 2 HD1 LYS 2 84.779 11.924 -8.898 22 1HE LYS 2 HE2 LYS 2 82.893 14.292 -8.729 23 2HE LYS 2 HE1 LYS 2 82.888 13.059 -9.990 24 1HZ LYS 2 HZ1 LYS 2 81.326 12.235 -8.565 25 2HZ LYS 2 HZ2 LYS 2 82.088 12.847 -7.176 26 3HZ LYS 2 HZ3 LYS 2 82.709 11.469 -7.952 27 H THR 3 HN THR 3 89.156 11.526 -8.514 28 HA THR 3 HA THR 3 91.306 12.791 -7.035 29 HB THR 3 HB THR 3 90.618 10.004 -6.100 30 HG1 THR 3 HG1 THR 3 90.072 12.161 -4.462 31 1HG2 THR 3 HG21 THR 3 92.894 10.740 -5.679 32 2HG2 THR 3 HG22 THR 3 92.004 10.741 -4.157 33 3HG2 THR 3 HG23 THR 3 92.312 12.259 -4.996 34 H TYR 4 HN TYR 4 91.023 12.193 -9.709 35 HA TYR 4 HA TYR 4 92.162 11.200 -11.488 36 1HB TYR 4 HB2 TYR 4 94.044 11.955 -9.858 37 2HB TYR 4 HB1 TYR 4 94.202 10.242 -9.490 38 HD1 TYR 4 HD1 TYR 4 95.049 12.857 -11.780 39 HD2 TYR 4 HD2 TYR 4 94.504 8.614 -11.480 40 HE1 TYR 4 HE1 TYR 4 96.376 12.543 -13.853 41 HE2 TYR 4 HE2 TYR 4 95.831 8.293 -13.551 42 HH TYR 4 HH TYR 4 96.523 9.513 -15.495 43 H GLY 5 HN GLY 5 90.573 9.567 -11.838 44 1HA GLY 5 HA2 GLY 5 89.739 7.379 -11.966 45 2HA GLY 5 HA1 GLY 5 91.439 6.945 -12.068 46 H VAL 6 HN VAL 6 88.627 6.670 -10.222 47 HA VAL 6 HA VAL 6 90.166 5.435 -7.959 48 HB VAL 6 HB VAL 6 87.503 6.850 -7.668 49 1HG1 VAL 6 HG11 VAL 6 89.588 6.044 -5.621 50 2HG1 VAL 6 HG12 VAL 6 88.164 5.079 -6.010 51 3HG1 VAL 6 HG13 VAL 6 87.975 6.681 -5.297 52 1HG2 VAL 6 HG21 VAL 6 89.272 8.458 -8.346 53 2HG2 VAL 6 HG22 VAL 6 90.281 7.883 -7.018 54 3HG2 VAL 6 HG23 VAL 6 88.762 8.713 -6.677 55 H SER 7 HN SER 7 89.534 3.334 -7.548 56 HA SER 7 HA SER 7 87.484 2.163 -9.275 57 1HB SER 7 HB2 SER 7 88.836 0.774 -6.969 58 2HB SER 7 HB1 SER 7 88.198 0.074 -8.450 59 HG SER 7 HG SER 7 89.901 0.832 -9.558 60 H PHE 8 HN PHE 8 85.498 2.890 -8.683 61 HA PHE 8 HA PHE 8 84.639 2.812 -5.839 62 1HB PHE 8 HB2 PHE 8 82.425 3.594 -7.341 63 2HB PHE 8 HB1 PHE 8 83.584 4.694 -6.607 64 HD1 PHE 8 HD1 PHE 8 82.832 2.791 -9.728 65 HD2 PHE 8 HD2 PHE 8 85.004 6.041 -7.946 66 HE1 PHE 8 HE1 PHE 8 83.503 3.580 -11.982 67 HE2 PHE 8 HE2 PHE 8 85.674 6.829 -10.200 68 HZ PHE 8 HZ PHE 8 84.924 5.599 -12.218 69 H PHE 9 HN PHE 9 83.697 0.979 -5.076 70 HA PHE 9 HA PHE 9 82.533 -0.985 -7.016 71 1HB PHE 9 HB2 PHE 9 83.688 -1.191 -4.237 72 2HB PHE 9 HB1 PHE 9 82.546 -2.415 -4.785 73 HD1 PHE 9 HD1 PHE 9 85.689 -0.657 -5.828 74 HD2 PHE 9 HD2 PHE 9 83.309 -4.225 -6.077 75 HE1 PHE 9 HE1 PHE 9 87.508 -1.785 -7.080 76 HE2 PHE 9 HE2 PHE 9 85.130 -5.354 -7.327 77 HZ PHE 9 HZ PHE 9 87.228 -4.133 -7.831 78 H LEU 10 HN LEU 10 80.339 -1.356 -6.991 79 HA LEU 10 HA LEU 10 78.672 0.403 -5.367 80 1HB LEU 10 HB2 LEU 10 78.001 -0.113 -7.652 81 2HB LEU 10 HB1 LEU 10 77.950 -1.831 -7.282 82 HG LEU 10 HG LEU 10 76.287 -0.327 -5.371 83 1HD1 LEU 10 HD11 LEU 10 76.103 1.213 -7.350 84 2HD1 LEU 10 HD12 LEU 10 74.576 0.479 -6.863 85 3HD1 LEU 10 HD13 LEU 10 75.441 -0.136 -8.272 86 1HD2 LEU 10 HD21 LEU 10 75.720 -2.492 -7.425 87 2HD2 LEU 10 HD22 LEU 10 74.540 -1.912 -6.252 88 3HD2 LEU 10 HD23 LEU 10 76.008 -2.714 -5.700 89 H VAL 11 HN VAL 11 78.603 -0.081 -3.263 90 HA VAL 11 HA VAL 11 77.927 -2.892 -2.456 91 HB VAL 11 HB VAL 11 78.889 -2.383 -0.291 92 1HG1 VAL 11 HG11 VAL 11 80.843 -1.236 -2.293 93 2HG1 VAL 11 HG12 VAL 11 80.396 -2.942 -2.312 94 3HG1 VAL 11 HG13 VAL 11 81.183 -2.252 -0.892 95 1HG2 VAL 11 HG21 VAL 11 80.079 -0.073 -0.082 96 2HG2 VAL 11 HG22 VAL 11 78.330 -0.129 0.123 97 3HG2 VAL 11 HG23 VAL 11 79.021 0.422 -1.403 98 H LYS 12 HN LYS 12 76.185 -3.056 -0.883 99 HA LYS 12 HA LYS 12 74.379 -0.656 -0.936 100 1HB LYS 12 HB2 LYS 12 73.939 -3.571 -1.227 101 2HB LYS 12 HB1 LYS 12 72.791 -2.784 -0.143 102 1HG LYS 12 HG2 LYS 12 72.076 -1.268 -1.842 103 2HG LYS 12 HG1 LYS 12 73.427 -1.699 -2.900 104 1HD LYS 12 HD2 LYS 12 72.512 -4.015 -3.046 105 2HD LYS 12 HD1 LYS 12 71.135 -3.500 -2.080 106 1HE LYS 12 HE2 LYS 12 70.362 -2.030 -3.761 107 2HE LYS 12 HE1 LYS 12 71.890 -2.089 -4.630 108 1HZ LYS 12 HZ1 LYS 12 70.672 -4.665 -4.264 109 2HZ LYS 12 HZ2 LYS 12 71.308 -3.955 -5.671 110 3HZ LYS 12 HZ3 LYS 12 69.720 -3.601 -5.181 111 H GLU 13 HN GLU 13 73.216 -0.158 0.966 112 HA GLU 13 HA GLU 13 74.380 -1.241 3.511 113 1HB GLU 13 HB2 GLU 13 73.753 1.666 2.912 114 2HB GLU 13 HB1 GLU 13 74.393 1.030 4.425 115 1HG GLU 13 HG2 GLU 13 76.375 0.162 3.133 116 2HG GLU 13 HG1 GLU 13 75.761 1.026 1.724 117 H LYS 14 HN LYS 14 72.899 -0.891 5.356 118 HA LYS 14 HA LYS 14 70.028 -0.895 4.482 119 1HB LYS 14 HB2 LYS 14 71.077 -1.949 7.120 120 2HB LYS 14 HB1 LYS 14 69.552 -2.320 6.328 121 1HG LYS 14 HG2 LYS 14 72.243 -3.081 5.150 122 2HG LYS 14 HG1 LYS 14 71.329 -4.142 6.210 123 1HD LYS 14 HD2 LYS 14 70.277 -3.000 3.601 124 2HD LYS 14 HD1 LYS 14 70.935 -4.620 3.797 125 1HE LYS 14 HE2 LYS 14 68.707 -5.132 4.128 126 2HE LYS 14 HE1 LYS 14 69.098 -4.684 5.786 127 1HZ LYS 14 HZ1 LYS 14 67.751 -2.947 5.659 128 2HZ LYS 14 HZ2 LYS 14 67.207 -3.529 4.159 129 3HZ LYS 14 HZ3 LYS 14 68.469 -2.394 4.226 130 H MET 15 HN MET 15 69.516 1.287 4.674 131 HA MET 15 HA MET 15 70.379 2.821 6.994 132 1HB MET 15 HB2 MET 15 68.736 3.389 4.565 133 2HB MET 15 HB1 MET 15 68.464 4.419 5.968 134 1HG MET 15 HG2 MET 15 71.202 3.885 4.774 135 2HG MET 15 HG1 MET 15 70.215 5.295 4.384 136 1HE MET 15 HE1 MET 15 72.686 6.366 5.189 137 2HE MET 15 HE2 MET 15 72.301 7.428 6.541 138 3HE MET 15 HE3 MET 15 71.183 7.299 5.186 139 H LYS 16 HN LYS 16 69.012 3.658 8.582 140 HA LYS 16 HA LYS 16 67.319 1.833 9.874 141 1HB LYS 16 HB2 LYS 16 66.523 4.407 10.770 142 2HB LYS 16 HB1 LYS 16 67.711 3.351 11.509 143 1HG LYS 16 HG2 LYS 16 68.712 5.524 11.082 144 2HG LYS 16 HG1 LYS 16 69.463 4.313 10.056 145 1HD LYS 16 HD2 LYS 16 69.073 5.898 8.408 146 2HD LYS 16 HD1 LYS 16 67.482 5.153 8.359 147 1HE LYS 16 HE2 LYS 16 68.271 7.628 9.924 148 2HE LYS 16 HE1 LYS 16 67.204 7.557 8.522 149 1HZ LYS 16 HZ1 LYS 16 66.708 6.264 11.150 150 2HZ LYS 16 HZ2 LYS 16 65.683 6.176 9.798 151 3HZ LYS 16 HZ3 LYS 16 65.944 7.665 10.574 152 H GLY 17 HN GLY 17 65.898 4.943 9.124 153 1HA GLY 17 HA2 GLY 17 63.279 4.480 9.043 154 2HA GLY 17 HA1 GLY 17 63.997 5.509 7.813 155 H LYS 18 HN LYS 18 65.434 3.238 6.538 156 HA LYS 18 HA LYS 18 63.033 1.938 5.242 157 1HB LYS 18 HB2 LYS 18 64.845 1.608 3.320 158 2HB LYS 18 HB1 LYS 18 63.979 3.132 3.483 159 1HG LYS 18 HG2 LYS 18 66.589 2.625 4.889 160 2HG LYS 18 HG1 LYS 18 66.535 3.244 3.245 161 1HD LYS 18 HD2 LYS 18 64.732 4.903 4.680 162 2HD LYS 18 HD1 LYS 18 66.089 4.677 5.770 163 1HE LYS 18 HE2 LYS 18 67.646 5.426 4.019 164 2HE LYS 18 HE1 LYS 18 66.303 5.611 2.893 165 1HZ LYS 18 HZ1 LYS 18 65.988 6.963 5.435 166 2HZ LYS 18 HZ2 LYS 18 65.631 7.501 3.863 167 3HZ LYS 18 HZ3 LYS 18 67.225 7.572 4.448 168 H ASN 19 HN ASN 19 62.867 -0.194 5.581 169 HA ASN 19 HA ASN 19 65.074 -1.718 6.744 170 1HB ASN 19 HB2 ASN 19 62.295 -2.368 5.776 171 2HB ASN 19 HB1 ASN 19 63.427 -3.662 6.152 172 1HD2 ASN 19 HD21 ASN 19 62.116 -0.646 7.644 173 2HD2 ASN 19 HD22 ASN 19 62.110 -1.259 9.227 174 H LYS 20 HN LYS 20 64.449 -0.425 3.873 175 HA LYS 20 HA LYS 20 65.130 -2.589 2.064 176 1HB LYS 20 HB2 LYS 20 64.000 -0.024 1.849 177 2HB LYS 20 HB1 LYS 20 65.520 0.107 0.985 178 1HG LYS 20 HG2 LYS 20 64.001 -0.614 -0.661 179 2HG LYS 20 HG1 LYS 20 64.822 -2.089 -0.180 180 1HD LYS 20 HD2 LYS 20 62.613 -2.813 -0.068 181 2HD LYS 20 HD1 LYS 20 62.833 -2.247 1.586 182 1HE LYS 20 HE2 LYS 20 60.758 -1.322 0.797 183 2HE LYS 20 HE1 LYS 20 61.921 0.001 0.823 184 1HZ LYS 20 HZ1 LYS 20 61.069 0.246 -1.257 185 2HZ LYS 20 HZ2 LYS 20 60.758 -1.412 -1.463 186 3HZ LYS 20 HZ3 LYS 20 62.343 -0.816 -1.612 187 H LEU 21 HN LEU 21 66.965 -1.689 0.391 188 HA LEU 21 HA LEU 21 69.451 -1.466 2.047 189 1HB LEU 21 HB2 LEU 21 69.620 -2.200 -0.858 190 2HB LEU 21 HB1 LEU 21 70.549 -2.810 0.507 191 HG LEU 21 HG LEU 21 67.650 -3.520 -0.076 192 1HD1 LEU 21 HD11 LEU 21 70.241 -5.011 -0.541 193 2HD1 LEU 21 HD12 LEU 21 69.057 -4.520 -1.754 194 3HD1 LEU 21 HD13 LEU 21 68.652 -5.774 -0.583 195 1HD2 LEU 21 HD21 LEU 21 69.604 -4.771 1.875 196 2HD2 LEU 21 HD22 LEU 21 67.891 -5.142 1.700 197 3HD2 LEU 21 HD23 LEU 21 68.392 -3.584 2.345 198 H VAL 22 HN VAL 22 71.138 -0.040 1.199 199 HA VAL 22 HA VAL 22 70.063 2.150 -0.556 200 HB VAL 22 HB VAL 22 71.728 2.333 1.954 201 1HG1 VAL 22 HG11 VAL 22 71.599 4.841 1.438 202 2HG1 VAL 22 HG12 VAL 22 71.161 4.375 -0.205 203 3HG1 VAL 22 HG13 VAL 22 72.726 3.903 0.459 204 1HG2 VAL 22 HG21 VAL 22 69.004 3.364 1.116 205 2HG2 VAL 22 HG22 VAL 22 69.840 3.895 2.571 206 3HG2 VAL 22 HG23 VAL 22 69.363 2.208 2.399 207 HA PRO 23 HA PRO 23 73.761 0.688 -2.809 208 1HB PRO 23 HB2 PRO 23 73.264 3.036 -4.541 209 2HB PRO 23 HB1 PRO 23 73.353 1.342 -4.988 210 1HG PRO 23 HG2 PRO 23 71.001 2.814 -4.882 211 2HG PRO 23 HG1 PRO 23 71.072 1.050 -4.740 212 1HD PRO 23 HD2 PRO 23 70.540 3.059 -2.629 213 2HD PRO 23 HD1 PRO 23 70.179 1.316 -2.644 214 H ARG 24 HN ARG 24 75.889 1.422 -2.874 215 HA ARG 24 HA ARG 24 76.563 4.213 -2.213 216 1HB ARG 24 HB2 ARG 24 76.167 2.927 -0.010 217 2HB ARG 24 HB1 ARG 24 77.597 1.999 -0.431 218 1HG ARG 24 HG2 ARG 24 78.574 3.686 0.835 219 2HG ARG 24 HG1 ARG 24 78.686 4.404 -0.772 220 1HD ARG 24 HD2 ARG 24 77.776 6.110 0.628 221 2HD ARG 24 HD1 ARG 24 76.401 5.471 -0.273 222 HE ARG 24 HE ARG 24 76.414 3.945 2.025 223 1HH1 ARG 24 HH21 ARG 24 76.489 7.313 1.286 224 2HH1 ARG 24 HH22 ARG 24 75.621 7.779 2.711 225 1HH2 ARG 24 HH11 ARG 24 75.281 4.535 3.887 226 2HH2 ARG 24 HH12 ARG 24 74.938 6.206 4.184 227 H LEU 25 HN LEU 25 78.737 4.666 -2.879 228 HA LEU 25 HA LEU 25 80.009 2.465 -4.461 229 1HB LEU 25 HB2 LEU 25 80.177 5.476 -4.601 230 2HB LEU 25 HB1 LEU 25 81.274 4.429 -5.493 231 HG LEU 25 HG LEU 25 78.250 4.339 -5.684 232 1HD1 LEU 25 HD11 LEU 25 80.246 5.541 -7.626 233 2HD1 LEU 25 HD12 LEU 25 79.239 6.473 -6.519 234 3HD1 LEU 25 HD13 LEU 25 78.491 5.521 -7.800 235 1HD2 LEU 25 HD21 LEU 25 78.680 2.330 -6.641 236 2HD2 LEU 25 HD22 LEU 25 80.410 2.629 -6.744 237 3HD2 LEU 25 HD23 LEU 25 79.335 3.225 -8.005 238 H LEU 26 HN LEU 26 82.107 1.838 -3.962 239 HA LEU 26 HA LEU 26 83.373 3.109 -1.553 240 1HB LEU 26 HB2 LEU 26 82.559 0.926 -0.962 241 2HB LEU 26 HB1 LEU 26 83.217 0.217 -2.432 242 HG LEU 26 HG LEU 26 85.473 0.512 -1.664 243 1HD1 LEU 26 HD11 LEU 26 85.489 2.635 -0.630 244 2HD1 LEU 26 HD12 LEU 26 85.787 1.522 0.703 245 3HD1 LEU 26 HD13 LEU 26 84.179 2.211 0.471 246 1HD2 LEU 26 HD21 LEU 26 84.192 -1.408 -0.722 247 2HD2 LEU 26 HD22 LEU 26 83.775 -0.414 0.673 248 3HD2 LEU 26 HD23 LEU 26 85.457 -0.849 0.371 249 H GLY 27 HN GLY 27 85.006 4.297 -2.341 250 1HA GLY 27 HA2 GLY 27 86.509 3.616 -4.715 251 2HA GLY 27 HA1 GLY 27 86.817 4.977 -3.660 252 H ILE 28 HN ILE 28 88.276 2.362 -4.826 253 HA ILE 28 HA ILE 28 89.846 1.825 -2.316 254 HB ILE 28 HB ILE 28 89.627 0.041 -4.768 255 1HG1 ILE 28 HG12 ILE 28 87.453 0.062 -3.696 256 2HG1 ILE 28 HG11 ILE 28 88.261 -1.440 -3.256 257 1HG2 ILE 28 HG21 ILE 28 91.689 -0.283 -3.560 258 2HG2 ILE 28 HG22 ILE 28 90.619 -1.630 -3.177 259 3HG2 ILE 28 HG23 ILE 28 90.836 -0.319 -2.017 260 1HD1 ILE 28 HD11 ILE 28 87.420 -0.689 -1.204 261 2HD1 ILE 28 HD12 ILE 28 87.768 0.998 -1.568 262 3HD1 ILE 28 HD13 ILE 28 89.081 -0.106 -1.165 263 H THR 29 HN THR 29 91.678 3.068 -2.462 264 HA THR 29 HA THR 29 92.866 3.569 -5.153 265 HB THR 29 HB THR 29 93.864 4.824 -2.602 266 HG1 THR 29 HG1 THR 29 91.510 5.477 -4.032 267 1HG2 THR 29 HG21 THR 29 93.540 5.782 -5.462 268 2HG2 THR 29 HG22 THR 29 95.052 5.303 -4.688 269 3HG2 THR 29 HG23 THR 29 94.201 6.748 -4.143 270 H LYS 30 HN LYS 30 95.348 3.587 -5.135 271 HA LYS 30 HA LYS 30 96.268 0.974 -4.324 272 1HB LYS 30 HB2 LYS 30 98.522 1.964 -5.121 273 2HB LYS 30 HB1 LYS 30 97.231 1.812 -6.313 274 1HG LYS 30 HG2 LYS 30 96.695 4.114 -6.206 275 2HG LYS 30 HG1 LYS 30 97.586 4.344 -4.705 276 1HD LYS 30 HD2 LYS 30 98.908 5.267 -6.510 277 2HD LYS 30 HD1 LYS 30 99.700 3.794 -5.953 278 1HE LYS 30 HE2 LYS 30 98.890 2.535 -7.807 279 2HE LYS 30 HE1 LYS 30 97.742 3.796 -8.256 280 1HZ LYS 30 HZ1 LYS 30 99.553 5.239 -8.839 281 2HZ LYS 30 HZ2 LYS 30 99.740 3.766 -9.664 282 3HZ LYS 30 HZ3 LYS 30 100.695 4.107 -8.301 283 H GLU 31 HN GLU 31 96.167 4.031 -2.788 284 HA GLU 31 HA GLU 31 97.914 2.994 -0.588 285 1HB GLU 31 HB2 GLU 31 97.907 5.787 -1.754 286 2HB GLU 31 HB1 GLU 31 98.772 5.311 -0.296 287 1HG GLU 31 HG2 GLU 31 99.846 3.490 -1.806 288 2HG GLU 31 HG1 GLU 31 99.277 4.481 -3.139 289 H CYS 32 HN CYS 32 94.844 3.697 -1.286 290 HA CYS 32 HA CYS 32 94.183 4.225 1.473 291 1HB CYS 32 HB2 CYS 32 92.961 6.514 0.583 292 2HB CYS 32 HB1 CYS 32 94.534 6.501 1.357 293 HG CYS 32 HG CYS 32 94.589 7.745 -1.027 294 H VAL 33 HN VAL 33 91.847 4.470 1.804 295 HA VAL 33 HA VAL 33 90.208 3.340 -0.450 296 HB VAL 33 HB VAL 33 90.048 2.878 2.550 297 1HG1 VAL 33 HG11 VAL 33 88.072 1.381 1.854 298 2HG1 VAL 33 HG12 VAL 33 88.058 2.304 0.352 299 3HG1 VAL 33 HG13 VAL 33 87.782 3.120 1.890 300 1HG2 VAL 33 HG21 VAL 33 91.615 1.390 1.543 301 2HG2 VAL 33 HG22 VAL 33 90.578 1.122 0.144 302 3HG2 VAL 33 HG23 VAL 33 90.126 0.461 1.714 303 H MET 34 HN MET 34 88.116 4.369 -0.704 304 HA MET 34 HA MET 34 87.677 6.762 1.049 305 1HB MET 34 HB2 MET 34 87.130 6.978 -1.890 306 2HB MET 34 HB1 MET 34 87.575 8.240 -0.746 307 1HG MET 34 HG2 MET 34 89.850 7.097 -0.578 308 2HG MET 34 HG1 MET 34 89.367 6.147 -1.981 309 1HE MET 34 HE1 MET 34 91.761 7.434 -1.881 310 2HE MET 34 HE2 MET 34 91.741 9.157 -1.521 311 3HE MET 34 HE3 MET 34 91.999 8.613 -3.176 312 H ARG 35 HN ARG 35 85.565 7.436 1.315 313 HA ARG 35 HA ARG 35 83.545 5.338 0.628 314 1HB ARG 35 HB2 ARG 35 83.569 7.705 2.515 315 2HB ARG 35 HB1 ARG 35 82.056 6.939 2.057 316 1HG ARG 35 HG2 ARG 35 83.277 4.711 2.783 317 2HG ARG 35 HG1 ARG 35 84.338 5.806 3.668 318 1HD ARG 35 HD2 ARG 35 81.387 5.335 4.026 319 2HD ARG 35 HD1 ARG 35 82.663 5.323 5.240 320 HE ARG 35 HE ARG 35 82.665 7.930 4.288 321 1HH1 ARG 35 HH21 ARG 35 80.333 5.728 5.547 322 2HH1 ARG 35 HH22 ARG 35 79.368 6.962 6.286 323 1HH2 ARG 35 HH11 ARG 35 81.428 9.554 5.254 324 2HH2 ARG 35 HH12 ARG 35 79.987 9.131 6.117 325 H VAL 36 HN VAL 36 82.126 5.674 -1.003 326 HA VAL 36 HA VAL 36 81.801 8.454 -2.053 327 HB VAL 36 HB VAL 36 82.153 5.943 -3.710 328 1HG1 VAL 36 HG11 VAL 36 82.165 7.463 -5.613 329 2HG1 VAL 36 HG12 VAL 36 82.058 8.859 -4.542 330 3HG1 VAL 36 HG13 VAL 36 80.695 7.752 -4.686 331 1HG2 VAL 36 HG21 VAL 36 84.234 6.737 -2.551 332 2HG2 VAL 36 HG22 VAL 36 84.044 8.278 -3.383 333 3HG2 VAL 36 HG23 VAL 36 84.327 6.808 -4.310 334 H ASP 37 HN ASP 37 79.682 8.978 -2.108 335 HA ASP 37 HA ASP 37 77.655 6.971 -1.552 336 1HB ASP 37 HB2 ASP 37 77.622 9.482 -0.909 337 2HB ASP 37 HB1 ASP 37 77.119 9.769 -2.573 338 H GLU 38 HN GLU 38 76.072 6.210 -3.005 339 HA GLU 38 HA GLU 38 76.895 6.245 -5.850 340 1HB GLU 38 HB2 GLU 38 76.172 4.168 -4.493 341 2HB GLU 38 HB1 GLU 38 74.547 4.814 -4.624 342 1HG GLU 38 HG2 GLU 38 76.326 4.301 -7.013 343 2HG GLU 38 HG1 GLU 38 75.162 3.129 -6.392 344 H LYS 39 HN LYS 39 74.676 7.542 -3.657 345 HA LYS 39 HA LYS 39 72.578 8.350 -5.427 346 1HB LYS 39 HB2 LYS 39 72.360 8.172 -2.971 347 2HB LYS 39 HB1 LYS 39 73.492 9.503 -2.793 348 1HG LYS 39 HG2 LYS 39 71.958 10.990 -4.030 349 2HG LYS 39 HG1 LYS 39 70.813 9.658 -4.205 350 1HD LYS 39 HD2 LYS 39 70.755 9.482 -1.692 351 2HD LYS 39 HD1 LYS 39 71.726 10.952 -1.622 352 1HE LYS 39 HE2 LYS 39 70.002 12.223 -2.749 353 2HE LYS 39 HE1 LYS 39 69.062 10.762 -3.052 354 1HZ LYS 39 HZ1 LYS 39 69.646 12.015 -0.429 355 2HZ LYS 39 HZ2 LYS 39 68.961 10.469 -0.596 356 3HZ LYS 39 HZ3 LYS 39 68.131 11.835 -1.172 357 H THR 40 HN THR 40 75.302 10.103 -3.963 358 HA THR 40 HA THR 40 74.946 12.287 -5.969 359 HB THR 40 HB THR 40 76.476 13.564 -4.479 360 HG1 THR 40 HG1 THR 40 77.142 12.651 -2.589 361 1HG2 THR 40 HG21 THR 40 74.848 13.984 -2.794 362 2HG2 THR 40 HG22 THR 40 74.228 12.335 -2.880 363 3HG2 THR 40 HG23 THR 40 73.938 13.456 -4.209 364 H LYS 41 HN LYS 41 76.747 9.466 -5.627 365 HA LYS 41 HA LYS 41 78.800 8.776 -6.582 366 1HB LYS 41 HB2 LYS 41 78.043 11.014 -8.483 367 2HB LYS 41 HB1 LYS 41 79.262 9.782 -8.806 368 1HG LYS 41 HG2 LYS 41 77.677 8.063 -8.972 369 2HG LYS 41 HG1 LYS 41 76.469 8.948 -8.041 370 1HD LYS 41 HD2 LYS 41 75.919 8.869 -10.466 371 2HD LYS 41 HD1 LYS 41 76.143 10.517 -9.882 372 1HE LYS 41 HE2 LYS 41 78.316 10.672 -10.852 373 2HE LYS 41 HE1 LYS 41 78.390 8.934 -11.141 374 1HZ LYS 41 HZ1 LYS 41 77.818 9.737 -13.199 375 2HZ LYS 41 HZ2 LYS 41 76.858 10.993 -12.576 376 3HZ LYS 41 HZ3 LYS 41 76.288 9.393 -12.553 377 H GLU 42 HN GLU 42 78.773 11.049 -4.563 378 HA GLU 42 HA GLU 42 81.278 12.477 -5.372 379 1HB GLU 42 HB2 GLU 42 78.886 13.307 -4.052 380 2HB GLU 42 HB1 GLU 42 80.175 13.428 -2.865 381 1HG GLU 42 HG2 GLU 42 80.095 15.529 -4.004 382 2HG GLU 42 HG1 GLU 42 81.507 14.683 -4.625 383 H VAL 43 HN VAL 43 82.908 12.762 -3.608 384 HA VAL 43 HA VAL 43 83.385 10.191 -2.245 385 HB VAL 43 HB VAL 43 85.011 12.731 -2.546 386 1HG1 VAL 43 HG11 VAL 43 86.856 11.305 -1.483 387 2HG1 VAL 43 HG12 VAL 43 85.566 10.243 -0.918 388 3HG1 VAL 43 HG13 VAL 43 85.621 11.923 -0.387 389 1HG2 VAL 43 HG21 VAL 43 85.682 9.926 -3.446 390 2HG2 VAL 43 HG22 VAL 43 86.372 11.448 -4.004 391 3HG2 VAL 43 HG23 VAL 43 84.721 11.014 -4.448 392 H ILE 44 HN ILE 44 82.895 9.833 -0.134 393 HA ILE 44 HA ILE 44 82.022 12.155 1.518 394 HB ILE 44 HB ILE 44 81.561 9.228 2.084 395 1HG1 ILE 44 HG12 ILE 44 80.571 9.675 -0.084 396 2HG1 ILE 44 HG11 ILE 44 79.275 9.649 1.108 397 1HG2 ILE 44 HG21 ILE 44 80.178 11.768 2.989 398 2HG2 ILE 44 HG22 ILE 44 81.275 10.793 3.964 399 3HG2 ILE 44 HG23 ILE 44 79.720 10.131 3.459 400 1HD1 ILE 44 HD11 ILE 44 78.816 11.572 -0.181 401 2HD1 ILE 44 HD12 ILE 44 80.514 12.028 -0.271 402 3HD1 ILE 44 HD13 ILE 44 79.631 12.219 1.241 403 H GLN 45 HN GLN 45 84.397 9.557 1.379 404 HA GLN 45 HA GLN 45 85.805 10.829 3.641 405 1HB GLN 45 HB2 GLN 45 84.097 8.951 4.424 406 2HB GLN 45 HB1 GLN 45 85.385 7.866 3.914 407 1HG GLN 45 HG2 GLN 45 85.882 8.244 6.177 408 2HG GLN 45 HG1 GLN 45 86.933 9.386 5.351 409 1HE2 GLN 45 HE21 GLN 45 86.978 11.156 6.770 410 2HE2 GLN 45 HE22 GLN 45 85.595 11.962 7.328 411 H GLU 46 HN GLU 46 87.913 9.806 4.022 412 HA GLU 46 HA GLU 46 89.099 8.291 1.775 413 1HB GLU 46 HB2 GLU 46 89.797 11.069 2.654 414 2HB GLU 46 HB1 GLU 46 91.124 10.005 2.189 415 1HG GLU 46 HG2 GLU 46 89.970 9.564 0.026 416 2HG GLU 46 HG1 GLU 46 88.718 10.721 0.485 417 H TRP 47 HN TRP 47 90.614 6.797 2.527 418 HA TRP 47 HA TRP 47 91.625 7.100 5.310 419 1HB TRP 47 HB2 TRP 47 90.049 4.779 4.214 420 2HB TRP 47 HB1 TRP 47 91.193 4.536 5.524 421 HD1 TRP 47 HD1 TRP 47 90.714 6.970 7.366 422 HE1 TRP 47 HE1 TRP 47 88.463 7.324 8.558 423 HE3 TRP 47 HE3 TRP 47 87.663 4.122 4.407 424 HZ2 TRP 47 HZ2 TRP 47 85.756 6.511 8.323 425 HZ3 TRP 47 HZ3 TRP 47 85.247 3.928 4.930 426 HH2 TRP 47 HH2 TRP 47 84.292 5.118 6.886 427 H SER 48 HN SER 48 93.550 5.886 5.728 428 HA SER 48 HA SER 48 95.185 5.480 3.307 429 1HB SER 48 HB2 SER 48 96.972 4.986 5.107 430 2HB SER 48 HB1 SER 48 96.349 6.629 5.019 431 HG SER 48 HG SER 48 94.722 5.279 6.579 432 H LEU 49 HN LEU 49 96.083 3.464 2.711 433 HA LEU 49 HA LEU 49 94.515 1.147 3.340 434 1HB LEU 49 HB2 LEU 49 96.888 1.791 1.683 435 2HB LEU 49 HB1 LEU 49 96.875 0.133 2.274 436 HG LEU 49 HG LEU 49 94.403 1.317 1.008 437 1HD1 LEU 49 HD11 LEU 49 96.863 0.237 -0.369 438 2HD1 LEU 49 HD12 LEU 49 95.949 1.699 -0.733 439 3HD1 LEU 49 HD13 LEU 49 95.271 0.120 -1.121 440 1HD2 LEU 49 HD21 LEU 49 93.775 -0.942 0.695 441 2HD2 LEU 49 HD22 LEU 49 94.522 -0.935 2.291 442 3HD2 LEU 49 HD23 LEU 49 95.427 -1.525 0.897 443 H THR 50 HN THR 50 97.481 2.484 4.656 444 HA THR 50 HA THR 50 98.261 0.150 6.140 445 HB THR 50 HB THR 50 99.765 1.631 7.330 446 HG1 THR 50 HG1 THR 50 97.830 3.457 6.622 447 1HG2 THR 50 HG21 THR 50 99.408 2.498 4.447 448 2HG2 THR 50 HG22 THR 50 100.375 1.135 5.010 449 3HG2 THR 50 HG23 THR 50 100.852 2.783 5.417 450 H ASN 51 HN ASN 51 95.583 2.094 6.411 451 HA ASN 51 HA ASN 51 95.403 2.046 9.359 452 1HB ASN 51 HB2 ASN 51 94.502 3.933 7.907 453 2HB ASN 51 HB1 ASN 51 93.241 2.820 7.388 454 1HD2 ASN 51 HD21 ASN 51 92.147 4.893 8.655 455 2HD2 ASN 51 HD22 ASN 51 91.766 4.556 10.274 456 H ILE 52 HN ILE 52 94.119 0.305 6.579 457 HA ILE 52 HA ILE 52 92.036 -1.105 7.943 458 HB ILE 52 HB ILE 52 93.678 -2.168 5.635 459 1HG1 ILE 52 HG12 ILE 52 91.373 -0.194 5.635 460 2HG1 ILE 52 HG11 ILE 52 93.024 0.120 5.099 461 1HG2 ILE 52 HG21 ILE 52 90.732 -2.485 6.256 462 2HG2 ILE 52 HG22 ILE 52 91.954 -3.628 6.812 463 3HG2 ILE 52 HG23 ILE 52 91.689 -3.390 5.085 464 1HD1 ILE 52 HD11 ILE 52 91.821 -0.314 3.105 465 2HD1 ILE 52 HD12 ILE 52 90.959 -1.674 3.820 466 3HD1 ILE 52 HD13 ILE 52 92.676 -1.816 3.441 467 H LYS 53 HN LYS 53 92.247 -2.579 9.544 468 HA LYS 53 HA LYS 53 94.886 -3.817 10.057 469 1HB LYS 53 HB2 LYS 53 93.695 -2.940 11.985 470 2HB LYS 53 HB1 LYS 53 92.263 -3.884 11.578 471 1HG LYS 53 HG2 LYS 53 93.383 -5.951 12.042 472 2HG LYS 53 HG1 LYS 53 94.951 -5.150 12.148 473 1HD LYS 53 HD2 LYS 53 94.379 -4.075 14.194 474 2HD LYS 53 HD1 LYS 53 92.667 -4.459 14.003 475 1HE LYS 53 HE2 LYS 53 93.802 -5.951 15.654 476 2HE LYS 53 HE1 LYS 53 93.126 -6.837 14.289 477 1HZ LYS 53 HZ1 LYS 53 95.239 -7.043 13.308 478 2HZ LYS 53 HZ2 LYS 53 95.461 -7.436 14.946 479 3HZ LYS 53 HZ3 LYS 53 95.938 -5.914 14.362 480 H ARG 54 HN ARG 54 91.507 -4.911 9.552 481 HA ARG 54 HA ARG 54 92.522 -7.280 8.100 482 1HB ARG 54 HB2 ARG 54 91.100 -8.809 9.514 483 2HB ARG 54 HB1 ARG 54 92.497 -8.150 10.362 484 1HG ARG 54 HG2 ARG 54 91.197 -6.696 11.660 485 2HG ARG 54 HG1 ARG 54 89.868 -6.681 10.508 486 1HD ARG 54 HD2 ARG 54 89.056 -8.760 11.216 487 2HD ARG 54 HD1 ARG 54 90.595 -9.233 11.937 488 HE ARG 54 HE ARG 54 89.764 -6.973 13.369 489 1HH1 ARG 54 HH21 ARG 54 88.528 -10.089 12.560 490 2HH1 ARG 54 HH22 ARG 54 87.570 -10.229 13.996 491 1HH2 ARG 54 HH11 ARG 54 88.518 -7.138 15.249 492 2HH2 ARG 54 HH12 ARG 54 87.565 -8.559 15.519 493 H TRP 55 HN TRP 55 90.445 -8.661 7.493 494 HA TRP 55 HA TRP 55 87.995 -7.094 7.245 495 1HB TRP 55 HB2 TRP 55 87.973 -7.249 4.725 496 2HB TRP 55 HB1 TRP 55 89.160 -6.117 5.369 497 HD1 TRP 55 HD1 TRP 55 88.887 -9.627 3.847 498 HE1 TRP 55 HE1 TRP 55 91.193 -10.294 2.900 499 HE3 TRP 55 HE3 TRP 55 91.688 -5.688 5.486 500 HZ2 TRP 55 HZ2 TRP 55 93.865 -9.280 2.833 501 HZ3 TRP 55 HZ3 TRP 55 94.106 -5.560 4.963 502 HH2 TRP 55 HH2 TRP 55 95.196 -7.352 3.639 503 H ALA 56 HN ALA 56 86.359 -8.386 5.903 504 HA ALA 56 HA ALA 56 86.927 -11.292 5.805 505 1HB ALA 56 HB1 ALA 56 84.619 -11.561 7.079 506 2HB ALA 56 HB2 ALA 56 85.026 -9.974 7.733 507 3HB ALA 56 HB3 ALA 56 86.110 -11.339 7.996 508 H ALA 57 HN ALA 57 86.356 -11.603 3.694 509 HA ALA 57 HA ALA 57 83.986 -10.163 2.602 510 1HB ALA 57 HB1 ALA 57 86.167 -10.121 1.370 511 2HB ALA 57 HB2 ALA 57 84.837 -10.786 0.424 512 3HB ALA 57 HB3 ALA 57 86.029 -11.864 1.151 513 H SER 58 HN SER 58 82.122 -11.196 2.204 514 HA SER 58 HA SER 58 82.098 -14.177 2.118 515 1HB SER 58 HB2 SER 58 80.609 -12.305 3.868 516 2HB SER 58 HB1 SER 58 79.621 -13.563 3.136 517 HG SER 58 HG SER 58 81.082 -13.824 5.231 518 HA PRO 59 HA PRO 59 79.916 -13.683 -1.673 519 1HB PRO 59 HB2 PRO 59 77.789 -15.538 -1.272 520 2HB PRO 59 HB1 PRO 59 79.366 -15.884 -1.994 521 1HG PRO 59 HG2 PRO 59 78.377 -16.546 0.720 522 2HG PRO 59 HG1 PRO 59 79.723 -17.260 -0.183 523 1HD PRO 59 HD2 PRO 59 79.983 -15.502 1.989 524 2HD PRO 59 HD1 PRO 59 81.257 -15.863 0.809 525 H LYS 60 HN LYS 60 78.949 -12.114 0.863 526 HA LYS 60 HA LYS 60 76.436 -11.177 -0.392 527 1HB LYS 60 HB2 LYS 60 75.146 -11.407 1.631 528 2HB LYS 60 HB1 LYS 60 75.861 -12.972 1.266 529 1HG LYS 60 HG2 LYS 60 77.818 -12.138 2.809 530 2HG LYS 60 HG1 LYS 60 76.605 -11.020 3.417 531 1HD LYS 60 HD2 LYS 60 75.101 -13.105 3.696 532 2HD LYS 60 HD1 LYS 60 76.590 -14.031 3.500 533 1HE LYS 60 HE2 LYS 60 76.006 -11.954 5.629 534 2HE LYS 60 HE1 LYS 60 76.239 -13.685 5.871 535 1HZ LYS 60 HZ1 LYS 60 78.261 -12.587 6.409 536 2HZ LYS 60 HZ2 LYS 60 78.256 -11.715 4.950 537 3HZ LYS 60 HZ3 LYS 60 78.505 -13.396 4.938 538 H SER 61 HN SER 61 78.901 -10.723 2.124 539 HA SER 61 HA SER 61 78.593 -7.776 1.768 540 1HB SER 61 HB2 SER 61 77.228 -8.046 3.663 541 2HB SER 61 HB1 SER 61 78.253 -9.309 4.334 542 HG SER 61 HG SER 61 79.023 -6.598 3.968 543 H PHE 62 HN PHE 62 80.361 -6.548 2.679 544 HA PHE 62 HA PHE 62 82.921 -8.094 2.951 545 1HB PHE 62 HB2 PHE 62 82.824 -6.850 0.808 546 2HB PHE 62 HB1 PHE 62 82.476 -5.364 1.686 547 HD1 PHE 62 HD1 PHE 62 84.970 -8.179 1.877 548 HD2 PHE 62 HD2 PHE 62 84.303 -3.936 2.010 549 HE1 PHE 62 HE1 PHE 62 87.395 -7.807 2.197 550 HE2 PHE 62 HE2 PHE 62 86.738 -3.572 2.319 551 HZ PHE 62 HZ PHE 62 88.280 -5.506 2.415 552 H THR 63 HN THR 63 84.231 -7.455 4.703 553 HA THR 63 HA THR 63 83.259 -5.139 6.357 554 HB THR 63 HB THR 63 84.005 -7.931 7.254 555 HG1 THR 63 HG1 THR 63 81.912 -7.642 8.281 556 1HG2 THR 63 HG21 THR 63 83.477 -6.880 9.576 557 2HG2 THR 63 HG22 THR 63 83.847 -5.344 8.793 558 3HG2 THR 63 HG23 THR 63 85.074 -6.610 8.879 559 H LEU 64 HN LEU 64 84.872 -3.924 7.333 560 HA LEU 64 HA LEU 64 87.703 -4.822 7.005 561 1HB LEU 64 HB2 LEU 64 88.162 -2.288 6.498 562 2HB LEU 64 HB1 LEU 64 87.645 -3.350 5.192 563 HG LEU 64 HG LEU 64 85.494 -1.997 6.783 564 1HD1 LEU 64 HD11 LEU 64 86.933 -0.108 6.463 565 2HD1 LEU 64 HD12 LEU 64 85.687 -0.002 5.220 566 3HD1 LEU 64 HD13 LEU 64 87.298 -0.585 4.805 567 1HD2 LEU 64 HD21 LEU 64 85.331 -3.635 4.692 568 2HD2 LEU 64 HD22 LEU 64 85.632 -2.158 3.782 569 3HD2 LEU 64 HD23 LEU 64 84.232 -2.269 4.842 570 H ASP 65 HN ASP 65 89.162 -3.716 8.491 571 HA ASP 65 HA ASP 65 87.792 -2.420 10.831 572 1HB ASP 65 HB2 ASP 65 88.361 -4.829 11.293 573 2HB ASP 65 HB1 ASP 65 90.055 -4.426 11.015 574 H PHE 66 HN PHE 66 88.674 -0.468 11.232 575 HA PHE 66 HA PHE 66 91.320 0.202 10.055 576 1HB PHE 66 HB2 PHE 66 89.176 1.874 11.399 577 2HB PHE 66 HB1 PHE 66 90.713 2.526 10.834 578 HD1 PHE 66 HD1 PHE 66 91.349 1.833 8.333 579 HD2 PHE 66 HD2 PHE 66 87.357 1.946 9.922 580 HE1 PHE 66 HE1 PHE 66 90.437 2.022 6.034 581 HE2 PHE 66 HE2 PHE 66 86.447 2.136 7.624 582 HZ PHE 66 HZ PHE 66 87.987 2.173 5.680 583 H GLY 67 HN GLY 67 90.194 -1.139 12.840 584 1HA GLY 67 HA2 GLY 67 91.307 -1.554 14.881 585 2HA GLY 67 HA1 GLY 67 92.658 -0.586 14.287 586 H ASP 68 HN ASP 68 90.068 1.304 13.745 587 HA ASP 68 HA ASP 68 90.603 2.933 16.136 588 1HB ASP 68 HB2 ASP 68 88.568 3.580 14.019 589 2HB ASP 68 HB1 ASP 68 89.532 4.681 14.996 590 H TYR 69 HN TYR 69 89.616 1.774 17.843 591 HA TYR 69 HA TYR 69 87.148 0.507 17.921 592 1HB TYR 69 HB2 TYR 69 88.615 0.506 19.852 593 2HB TYR 69 HB1 TYR 69 88.445 2.252 20.032 594 HD1 TYR 69 HD1 TYR 69 86.659 3.175 21.281 595 HD2 TYR 69 HD2 TYR 69 86.520 -0.943 20.071 596 HE1 TYR 69 HE1 TYR 69 84.648 2.829 22.693 597 HE2 TYR 69 HE2 TYR 69 84.510 -1.292 21.482 598 HH TYR 69 HH TYR 69 82.793 1.347 22.918 599 H GLN 70 HN GLN 70 87.785 3.979 18.326 600 HA GLN 70 HA GLN 70 85.195 4.871 18.903 601 1HB GLN 70 HB2 GLN 70 85.862 7.002 17.778 602 2HB GLN 70 HB1 GLN 70 87.073 6.408 18.901 603 1HG GLN 70 HG2 GLN 70 88.106 5.252 16.809 604 2HG GLN 70 HG1 GLN 70 87.124 6.393 15.899 605 1HE2 GLN 70 HE21 GLN 70 89.269 6.546 18.810 606 2HE2 GLN 70 HE22 GLN 70 90.058 7.968 18.323 607 H ASP 71 HN ASP 71 86.632 4.576 15.635 608 HA ASP 71 HA ASP 71 84.134 5.088 14.306 609 1HB ASP 71 HB2 ASP 71 86.536 5.285 13.379 610 2HB ASP 71 HB1 ASP 71 86.425 3.552 13.104 611 H GLY 72 HN GLY 72 85.873 2.149 15.220 612 1HA GLY 72 HA2 GLY 72 84.958 0.006 15.639 613 2HA GLY 72 HA1 GLY 72 83.377 0.631 15.173 614 H TYR 73 HN TYR 73 83.636 -1.697 14.110 615 HA TYR 73 HA TYR 73 85.216 -1.839 11.689 616 1HB TYR 73 HB2 TYR 73 82.763 -3.489 12.317 617 2HB TYR 73 HB1 TYR 73 84.130 -3.933 11.304 618 HD1 TYR 73 HD1 TYR 73 86.484 -3.843 12.484 619 HD2 TYR 73 HD2 TYR 73 82.742 -4.229 14.545 620 HE1 TYR 73 HE1 TYR 73 87.667 -4.788 14.450 621 HE2 TYR 73 HE2 TYR 73 83.919 -5.173 16.513 622 HH TYR 73 HH TYR 73 86.019 -5.346 17.489 623 H TYR 74 HN TYR 74 84.286 -1.989 9.516 624 HA TYR 74 HA TYR 74 81.744 -0.474 9.131 625 1HB TYR 74 HB2 TYR 74 83.735 0.999 8.745 626 2HB TYR 74 HB1 TYR 74 84.288 -0.139 7.522 627 HD1 TYR 74 HD1 TYR 74 81.532 2.192 8.421 628 HD2 TYR 74 HD2 TYR 74 83.356 -0.163 5.327 629 HE1 TYR 74 HE1 TYR 74 80.090 3.292 6.730 630 HE2 TYR 74 HE2 TYR 74 81.916 0.937 3.636 631 HH TYR 74 HH TYR 74 80.502 2.654 3.270 632 H SER 75 HN SER 75 80.473 -2.070 8.316 633 HA SER 75 HA SER 75 81.533 -3.744 6.079 634 1HB SER 75 HB2 SER 75 80.034 -5.534 6.883 635 2HB SER 75 HB1 SER 75 81.213 -5.085 8.109 636 HG SER 75 HG SER 75 79.520 -3.630 8.905 637 H VAL 76 HN VAL 76 80.003 -4.374 4.487 638 HA VAL 76 HA VAL 76 77.361 -3.060 4.455 639 HB VAL 76 HB VAL 76 77.826 -1.999 2.230 640 1HG1 VAL 76 HG11 VAL 76 79.763 -0.996 4.331 641 2HG1 VAL 76 HG12 VAL 76 78.017 -0.812 4.499 642 3HG1 VAL 76 HG13 VAL 76 78.858 -0.052 3.147 643 1HG2 VAL 76 HG21 VAL 76 79.762 -3.413 1.623 644 2HG2 VAL 76 HG22 VAL 76 80.695 -2.706 2.941 645 3HG2 VAL 76 HG23 VAL 76 80.196 -1.706 1.580 646 H GLN 77 HN GLN 77 76.248 -3.692 2.274 647 HA GLN 77 HA GLN 77 76.547 -6.566 1.991 648 1HB GLN 77 HB2 GLN 77 74.746 -4.486 0.755 649 2HB GLN 77 HB1 GLN 77 74.710 -6.165 0.223 650 1HG GLN 77 HG2 GLN 77 74.185 -6.912 2.484 651 2HG GLN 77 HG1 GLN 77 74.340 -5.265 3.093 652 1HE2 GLN 77 HE21 GLN 77 72.830 -3.625 1.842 653 2HE2 GLN 77 HE22 GLN 77 71.259 -4.175 1.514 654 H THR 78 HN THR 78 77.391 -7.679 0.253 655 HA THR 78 HA THR 78 78.246 -6.237 -2.172 656 HB THR 78 HB THR 78 80.563 -7.027 -2.005 657 HG1 THR 78 HG1 THR 78 80.722 -8.698 -0.735 658 1HG2 THR 78 HG21 THR 78 81.339 -5.466 -0.364 659 2HG2 THR 78 HG22 THR 78 79.848 -5.604 0.567 660 3HG2 THR 78 HG23 THR 78 79.837 -4.804 -1.005 661 H THR 79 HN THR 79 77.746 -7.543 -3.829 662 HA THR 79 HA THR 79 76.900 -10.279 -3.421 663 HB THR 79 HB THR 79 77.579 -8.876 -6.017 664 HG1 THR 79 HG1 THR 79 75.288 -8.462 -6.005 665 1HG2 THR 79 HG21 THR 79 77.330 -11.302 -6.227 666 2HG2 THR 79 HG22 THR 79 75.947 -10.489 -6.959 667 3HG2 THR 79 HG23 THR 79 75.791 -11.235 -5.369 668 H GLU 80 HN GLU 80 79.910 -8.745 -4.104 669 HA GLU 80 HA GLU 80 81.251 -11.371 -4.160 670 1HB GLU 80 HB2 GLU 80 82.596 -10.720 -6.163 671 2HB GLU 80 HB1 GLU 80 80.889 -10.960 -6.527 672 1HG GLU 80 HG2 GLU 80 80.774 -8.332 -6.018 673 2HG GLU 80 HG1 GLU 80 82.475 -8.409 -6.449 674 H GLY 81 HN GLY 81 81.329 -9.751 -2.051 675 1HA GLY 81 HA2 GLY 81 83.222 -7.662 -1.956 676 2HA GLY 81 HA1 GLY 81 82.831 -8.705 -0.592 677 H GLU 82 HN GLU 82 83.773 -10.834 -2.842 678 HA GLU 82 HA GLU 82 86.281 -11.409 -1.599 679 1HB GLU 82 HB2 GLU 82 85.199 -13.214 -2.708 680 2HB GLU 82 HB1 GLU 82 84.985 -12.282 -4.183 681 1HG GLU 82 HG2 GLU 82 87.252 -12.446 -4.766 682 2HG GLU 82 HG1 GLU 82 87.732 -12.913 -3.142 683 H GLN 83 HN GLN 83 85.614 -10.149 -4.851 684 HA GLN 83 HA GLN 83 88.232 -9.541 -5.633 685 1HB GLN 83 HB2 GLN 83 85.862 -7.752 -6.176 686 2HB GLN 83 HB1 GLN 83 87.296 -7.937 -7.169 687 1HG GLN 83 HG2 GLN 83 86.671 -10.151 -7.804 688 2HG GLN 83 HG1 GLN 83 85.412 -10.213 -6.585 689 1HE2 GLN 83 HE21 GLN 83 83.464 -10.152 -7.628 690 2HE2 GLN 83 HE22 GLN 83 83.051 -9.084 -8.878 691 H ILE 84 HN ILE 84 85.970 -7.574 -3.787 692 HA ILE 84 HA ILE 84 87.545 -5.261 -3.457 693 HB ILE 84 HB ILE 84 85.784 -6.545 -1.344 694 1HG1 ILE 84 HG12 ILE 84 85.111 -4.767 -3.708 695 2HG1 ILE 84 HG11 ILE 84 84.546 -6.413 -3.428 696 1HG2 ILE 84 HG21 ILE 84 87.257 -4.569 -0.704 697 2HG2 ILE 84 HG22 ILE 84 85.530 -4.317 -0.478 698 3HG2 ILE 84 HG23 ILE 84 86.347 -3.615 -1.874 699 1HD1 ILE 84 HD11 ILE 84 83.559 -5.469 -1.217 700 2HD1 ILE 84 HD12 ILE 84 82.732 -5.081 -2.726 701 3HD1 ILE 84 HD13 ILE 84 83.785 -3.889 -1.967 702 H ALA 85 HN ALA 85 87.745 -8.413 -1.920 703 HA ALA 85 HA ALA 85 89.803 -7.531 -0.005 704 1HB ALA 85 HB1 ALA 85 88.816 -10.313 -0.701 705 2HB ALA 85 HB2 ALA 85 88.212 -9.313 0.617 706 3HB ALA 85 HB3 ALA 85 89.871 -9.904 0.651 707 H GLN 86 HN GLN 86 89.614 -9.014 -3.171 708 HA GLN 86 HA GLN 86 92.431 -9.844 -3.151 709 1HB GLN 86 HB2 GLN 86 90.540 -10.980 -4.448 710 2HB GLN 86 HB1 GLN 86 90.626 -9.617 -5.551 711 1HG GLN 86 HG2 GLN 86 93.146 -10.124 -5.687 712 2HG GLN 86 HG1 GLN 86 92.741 -11.668 -4.954 713 1HE2 GLN 86 HE21 GLN 86 93.794 -11.460 -7.619 714 2HE2 GLN 86 HE22 GLN 86 92.590 -11.973 -8.693 715 H LEU 87 HN LEU 87 90.467 -7.217 -4.368 716 HA LEU 87 HA LEU 87 92.558 -5.989 -5.930 717 1HB LEU 87 HB2 LEU 87 90.199 -5.486 -6.379 718 2HB LEU 87 HB1 LEU 87 90.003 -4.859 -4.744 719 HG LEU 87 HG LEU 87 91.566 -3.045 -5.204 720 1HD1 LEU 87 HD11 LEU 87 92.216 -2.848 -7.766 721 2HD1 LEU 87 HD12 LEU 87 91.982 -4.594 -7.761 722 3HD1 LEU 87 HD13 LEU 87 93.181 -3.863 -6.695 723 1HD2 LEU 87 HD21 LEU 87 90.266 -1.938 -7.091 724 2HD2 LEU 87 HD22 LEU 87 89.282 -2.566 -5.768 725 3HD2 LEU 87 HD23 LEU 87 89.402 -3.464 -7.281 726 H ILE 88 HN ILE 88 91.294 -5.637 -2.678 727 HA ILE 88 HA ILE 88 93.070 -3.454 -1.958 728 HB ILE 88 HB ILE 88 91.279 -5.329 -0.400 729 1HG1 ILE 88 HG12 ILE 88 91.165 -2.329 -0.849 730 2HG1 ILE 88 HG11 ILE 88 90.292 -3.507 -1.826 731 1HG2 ILE 88 HG21 ILE 88 93.178 -3.190 0.590 732 2HG2 ILE 88 HG22 ILE 88 93.018 -4.849 1.160 733 3HG2 ILE 88 HG23 ILE 88 91.762 -3.668 1.524 734 1HD1 ILE 88 HD11 ILE 88 89.915 -2.858 1.096 735 2HD1 ILE 88 HD12 ILE 88 89.311 -4.361 0.398 736 3HD1 ILE 88 HD13 ILE 88 88.720 -2.811 -0.200 737 H ALA 89 HN ALA 89 92.935 -6.932 -1.161 738 HA ALA 89 HA ALA 89 95.352 -7.039 0.333 739 1HB ALA 89 HB1 ALA 89 94.126 -9.176 -1.440 740 2HB ALA 89 HB2 ALA 89 93.745 -8.908 0.262 741 3HB ALA 89 HB3 ALA 89 95.356 -9.452 -0.206 742 H GLY 90 HN GLY 90 94.783 -6.554 -3.011 743 1HA GLY 90 HA2 GLY 90 97.425 -7.522 -3.873 744 2HA GLY 90 HA1 GLY 90 96.213 -6.761 -4.899 745 H TYR 91 HN TYR 91 95.941 -4.445 -2.973 746 HA TYR 91 HA TYR 91 98.201 -2.909 -4.073 747 1HB TYR 91 HB2 TYR 91 95.745 -2.178 -2.470 748 2HB TYR 91 HB1 TYR 91 97.022 -1.006 -2.764 749 HD1 TYR 91 HD1 TYR 91 93.925 -1.942 -3.898 750 HD2 TYR 91 HD2 TYR 91 97.867 -1.160 -5.441 751 HE1 TYR 91 HE1 TYR 91 92.963 -1.405 -6.110 752 HE2 TYR 91 HE2 TYR 91 96.893 -0.650 -7.655 753 HH TYR 91 HH TYR 91 95.039 -0.683 -8.902 754 H ILE 92 HN ILE 92 97.465 -4.564 -1.168 755 HA ILE 92 HA ILE 92 99.141 -2.886 0.547 756 HB ILE 92 HB ILE 92 97.931 -5.625 0.985 757 1HG1 ILE 92 HG12 ILE 92 97.070 -2.897 1.998 758 2HG1 ILE 92 HG11 ILE 92 96.347 -3.700 0.603 759 1HG2 ILE 92 HG21 ILE 92 99.765 -5.396 2.500 760 2HG2 ILE 92 HG22 ILE 92 98.329 -4.969 3.428 761 3HG2 ILE 92 HG23 ILE 92 99.388 -3.702 2.810 762 1HD1 ILE 92 HD11 ILE 92 95.907 -5.685 2.158 763 2HD1 ILE 92 HD12 ILE 92 94.938 -4.242 2.452 764 3HD1 ILE 92 HD13 ILE 92 96.318 -4.605 3.489 765 H ASP 93 HN ASP 93 99.560 -5.771 -1.395 766 HA ASP 93 HA ASP 93 102.145 -6.435 -0.164 767 1HB ASP 93 HB2 ASP 93 100.556 -7.546 -2.481 768 2HB ASP 93 HB1 ASP 93 102.193 -8.095 -2.129 769 H ILE 94 HN ILE 94 100.986 -4.450 -2.731 770 HA ILE 94 HA ILE 94 103.548 -4.436 -4.182 771 HB ILE 94 HB ILE 94 101.063 -2.747 -4.545 772 1HG1 ILE 94 HG12 ILE 94 102.010 -5.113 -6.181 773 2HG1 ILE 94 HG11 ILE 94 100.867 -5.281 -4.849 774 1HG2 ILE 94 HG21 ILE 94 103.602 -3.114 -6.147 775 2HG2 ILE 94 HG22 ILE 94 102.894 -1.607 -5.563 776 3HG2 ILE 94 HG23 ILE 94 102.117 -2.497 -6.873 777 1HD1 ILE 94 HD11 ILE 94 99.600 -5.064 -6.899 778 2HD1 ILE 94 HD12 ILE 94 100.507 -3.624 -7.360 779 3HD1 ILE 94 HD13 ILE 94 99.408 -3.572 -5.981 780 H ILE 95 HN ILE 95 101.900 -2.503 -1.775 781 HA ILE 95 HA ILE 95 103.747 -0.234 -2.112 782 HB ILE 95 HB ILE 95 102.606 0.635 -0.053 783 1HG1 ILE 95 HG12 ILE 95 101.096 -1.987 -0.314 784 2HG1 ILE 95 HG11 ILE 95 102.037 -1.432 1.068 785 1HG2 ILE 95 HG21 ILE 95 101.791 0.993 -2.432 786 2HG2 ILE 95 HG22 ILE 95 100.560 1.170 -1.183 787 3HG2 ILE 95 HG23 ILE 95 100.635 -0.304 -2.146 788 1HD1 ILE 95 HD11 ILE 95 99.819 -0.963 1.703 789 2HD1 ILE 95 HD12 ILE 95 99.377 -0.413 0.087 790 3HD1 ILE 95 HD13 ILE 95 100.409 0.589 1.108 791 H LEU 96 HN LEU 96 103.210 -2.879 0.147 792 HA LEU 96 HA LEU 96 105.275 -2.156 2.004 793 1HB LEU 96 HB2 LEU 96 103.531 -4.485 1.434 794 2HB LEU 96 HB1 LEU 96 105.035 -4.892 2.260 795 HG LEU 96 HG LEU 96 103.335 -2.601 3.260 796 1HD1 LEU 96 HD11 LEU 96 102.902 -5.557 3.691 797 2HD1 LEU 96 HD12 LEU 96 101.717 -4.333 3.241 798 3HD1 LEU 96 HD13 LEU 96 102.374 -4.364 4.875 799 1HD2 LEU 96 HD21 LEU 96 105.021 -4.591 4.798 800 2HD2 LEU 96 HD22 LEU 96 104.483 -2.993 5.314 801 3HD2 LEU 96 HD23 LEU 96 105.722 -3.147 4.069 802 H LYS 97 HN LYS 97 105.342 -3.655 -1.105 803 HA LYS 97 HA LYS 97 107.921 -4.960 -0.754 804 1HB LYS 97 HB2 LYS 97 106.151 -5.668 -2.407 805 2HB LYS 97 HB1 LYS 97 106.539 -4.220 -3.330 806 1HG LYS 97 HG2 LYS 97 109.011 -5.109 -3.203 807 2HG LYS 97 HG1 LYS 97 108.245 -6.648 -2.825 808 1HD LYS 97 HD2 LYS 97 106.973 -6.580 -4.897 809 2HD LYS 97 HD1 LYS 97 107.601 -4.973 -5.256 810 1HE LYS 97 HE2 LYS 97 108.825 -6.743 -6.498 811 2HE LYS 97 HE1 LYS 97 109.879 -5.859 -5.395 812 1HZ LYS 97 HZ1 LYS 97 109.294 -8.610 -5.436 813 2HZ LYS 97 HZ2 LYS 97 108.755 -7.960 -3.962 814 3HZ LYS 97 HZ3 LYS 97 110.376 -7.773 -4.434 815 H LYS 98 HN LYS 98 106.914 -2.227 -2.842 816 HA LYS 98 HA LYS 98 109.589 -1.399 -3.398 817 1HB LYS 98 HB2 LYS 98 107.012 0.190 -3.490 818 2HB LYS 98 HB1 LYS 98 108.522 0.634 -4.284 819 1HG LYS 98 HG2 LYS 98 108.368 -1.089 -5.859 820 2HG LYS 98 HG1 LYS 98 107.319 -2.073 -4.843 821 1HD LYS 98 HD2 LYS 98 105.416 -0.774 -5.324 822 2HD LYS 98 HD1 LYS 98 106.375 0.588 -5.895 823 1HE LYS 98 HE2 LYS 98 106.129 -2.103 -7.273 824 2HE LYS 98 HE1 LYS 98 105.353 -0.607 -7.792 825 1HZ LYS 98 HZ1 LYS 98 107.307 -0.825 -9.064 826 2HZ LYS 98 HZ2 LYS 98 108.252 -1.214 -7.706 827 3HZ LYS 98 HZ3 LYS 98 107.648 0.362 -7.901 828 H LYS 99 HN LYS 99 107.165 0.038 -1.173 829 HA LYS 99 HA LYS 99 108.877 2.046 -0.164 830 1HB LYS 99 HB2 LYS 99 107.203 2.500 1.375 831 2HB LYS 99 HB1 LYS 99 106.291 1.588 0.178 832 1HG LYS 99 HG2 LYS 99 106.853 -0.494 1.578 833 2HG LYS 99 HG1 LYS 99 107.360 0.630 2.834 834 1HD LYS 99 HD2 LYS 99 104.613 0.580 1.545 835 2HD LYS 99 HD1 LYS 99 104.999 -0.057 3.142 836 1HE LYS 99 HE2 LYS 99 104.171 2.094 3.612 837 2HE LYS 99 HE1 LYS 99 105.918 2.333 3.625 838 1HZ LYS 99 HZ1 LYS 99 105.782 3.688 1.891 839 2HZ LYS 99 HZ2 LYS 99 104.094 3.674 2.082 840 3HZ LYS 99 HZ3 LYS 99 104.839 2.594 1.003 841 H LYS 100 HN LYS 100 109.262 -1.265 0.122 842 HA LYS 100 HA LYS 100 110.066 -1.743 2.751 843 1HB LYS 100 HB2 LYS 100 111.510 -3.494 1.882 844 2HB LYS 100 HB1 LYS 100 110.043 -3.437 0.916 845 1HG LYS 100 HG2 LYS 100 111.719 -3.567 -0.718 846 2HG LYS 100 HG1 LYS 100 111.357 -1.847 -0.656 847 1HD LYS 100 HD2 LYS 100 113.449 -1.307 0.122 848 2HD LYS 100 HD1 LYS 100 113.500 -2.664 1.239 849 1HE LYS 100 HE2 LYS 100 113.881 -2.945 -1.754 850 2HE LYS 100 HE1 LYS 100 115.210 -2.775 -0.607 851 1HZ LYS 100 HZ1 LYS 100 114.845 -4.826 0.271 852 2HZ LYS 100 HZ2 LYS 100 114.313 -5.119 -1.316 853 3HZ LYS 100 HZ3 LYS 100 113.186 -4.822 -0.081 854 1H SER 1 HT1 SER 1 88.481 -18.452 10.689 855 2H SER 1 HT2 SER 1 86.831 -18.276 10.325 856 3H SER 1 HT3 SER 1 87.779 -16.908 10.663 857 HA SER 1 HA SER 1 88.958 -18.347 8.545 858 1HB SER 1 HB2 SER 1 87.180 -18.180 6.895 859 2HB SER 1 HB1 SER 1 86.605 -19.159 8.240 860 HG SER 1 HG SER 1 86.195 -16.456 8.533 861 H TRP 2 HN TRP 2 88.788 -15.848 10.363 862 HA TRP 2 HA TRP 2 88.279 -13.576 8.698 863 1HB TRP 2 HB2 TRP 2 89.756 -14.079 11.261 864 2HB TRP 2 HB1 TRP 2 90.089 -12.565 10.429 865 HD1 TRP 2 HD1 TRP 2 87.540 -14.283 12.556 866 HE1 TRP 2 HE1 TRP 2 85.555 -12.691 12.982 867 HE3 TRP 2 HE3 TRP 2 88.642 -10.600 9.209 868 HZ2 TRP 2 HZ2 TRP 2 84.574 -10.175 12.026 869 HZ3 TRP 2 HZ3 TRP 2 87.175 -8.614 8.989 870 HH2 TRP 2 HH2 TRP 2 85.150 -8.400 10.391 871 H VAL 3 HN VAL 3 90.261 -11.996 8.295 872 HA VAL 3 HA VAL 3 92.669 -13.390 7.335 873 HB VAL 3 HB VAL 3 91.330 -13.584 5.363 874 1HG1 VAL 3 HG11 VAL 3 90.621 -10.683 5.825 875 2HG1 VAL 3 HG12 VAL 3 89.538 -12.063 6.030 876 3HG1 VAL 3 HG13 VAL 3 90.125 -11.630 4.423 877 1HG2 VAL 3 HG21 VAL 3 93.687 -12.475 5.219 878 2HG2 VAL 3 HG22 VAL 3 92.799 -10.990 4.867 879 3HG2 VAL 3 HG23 VAL 3 92.636 -12.386 3.802 880 1HN PTR 4 HN PTR 4 94.436 -12.063 7.513 881 HA PTR 4 HA PTR 4 93.937 -9.212 8.327 882 1HB PTR 4 HB1 PTR 4 96.269 -9.546 9.430 883 2HB PTR 4 HB2 PTR 4 95.980 -11.266 9.186 884 HD1 PTR 4 HD1 PTR 4 93.441 -11.999 9.890 885 HD2 PTR 4 HD2 PTR 4 95.650 -8.684 11.513 886 HE1 PTR 4 HE1 PTR 4 92.040 -12.059 11.928 887 HE2 PTR 4 HE2 PTR 4 94.244 -8.750 13.552 888 H SER 5 HN SER 5 96.586 -8.339 8.151 889 HA SER 5 HA SER 5 97.372 -8.774 5.308 890 1HB SER 5 HB2 SER 5 97.098 -6.549 4.735 891 2HB SER 5 HB1 SER 5 95.914 -6.593 6.034 892 HG SER 5 HG SER 5 98.652 -6.036 6.481 893 HA PRO 6 HA PRO 6 101.438 -8.948 7.048 894 1HB PRO 6 HB2 PRO 6 102.845 -7.437 5.069 895 2HB PRO 6 HB1 PRO 6 102.630 -9.191 5.109 896 1HG PRO 6 HG2 PRO 6 101.302 -7.226 3.368 897 2HG PRO 6 HG1 PRO 6 101.341 -8.989 3.220 898 1HD PRO 6 HD2 PRO 6 99.118 -7.426 4.056 899 2HD PRO 6 HD1 PRO 6 99.268 -9.191 4.169 900 H LEU 7 HN LEU 7 100.064 -5.848 6.160 901 HA LEU 7 HA LEU 7 101.907 -4.013 7.130 902 1HB LEU 7 HB2 LEU 7 98.904 -3.998 7.546 903 2HB LEU 7 HB1 LEU 7 99.949 -2.601 7.778 904 HG LEU 7 HG LEU 7 100.031 -4.063 5.141 905 1HD1 LEU 7 HD11 LEU 7 97.884 -2.154 6.081 906 2HD1 LEU 7 HD12 LEU 7 97.682 -3.731 5.323 907 3HD1 LEU 7 HD13 LEU 7 98.263 -2.366 4.372 908 1HD2 LEU 7 HD21 LEU 7 100.774 -1.959 4.297 909 2HD2 LEU 7 HD22 LEU 7 101.600 -2.135 5.842 910 3HD2 LEU 7 HD23 LEU 7 100.186 -1.092 5.715 911 H HIS 8 HN HIS 8 102.999 -4.010 9.018 912 HA HIS 8 HA HIS 8 102.185 -5.558 11.304 913 1HB HIS 8 HB2 HIS 8 104.039 -4.192 12.439 914 2HB HIS 8 HB1 HIS 8 104.521 -5.167 11.052 915 HD1 HIS 8 HD1 HIS 8 103.767 -1.590 12.028 916 HD2 HIS 8 HD2 HIS 8 105.428 -3.693 8.834 917 HE1 HIS 8 HE1 HIS 8 104.781 0.140 10.480 Start of MODEL 10 1 1H LEU 1 HT1 LEU 1 87.224 15.125 -12.657 2 2H LEU 1 HT2 LEU 1 87.656 15.566 -11.074 3 3H LEU 1 HT3 LEU 1 86.233 14.681 -11.353 4 HA LEU 1 HA LEU 1 87.498 12.780 -12.088 5 1HB LEU 1 HB2 LEU 1 89.979 14.303 -11.272 6 2HB LEU 1 HB1 LEU 1 89.875 12.796 -12.180 7 HG LEU 1 HG LEU 1 88.974 15.523 -13.155 8 1HD1 LEU 1 HD11 LEU 1 91.359 15.416 -13.227 9 2HD1 LEU 1 HD12 LEU 1 90.815 15.042 -14.863 10 3HD1 LEU 1 HD13 LEU 1 91.337 13.745 -13.788 11 1HD2 LEU 1 HD21 LEU 1 87.518 13.901 -14.136 12 2HD2 LEU 1 HD22 LEU 1 88.835 12.750 -14.361 13 3HD2 LEU 1 HD23 LEU 1 88.760 14.209 -15.349 14 H LYS 2 HN LYS 2 86.133 13.748 -9.776 15 HA LYS 2 HA LYS 2 87.702 13.401 -7.404 16 1HB LYS 2 HB2 LYS 2 84.743 13.295 -7.982 17 2HB LYS 2 HB1 LYS 2 85.378 12.976 -6.367 18 1HG LYS 2 HG2 LYS 2 84.721 15.362 -6.717 19 2HG LYS 2 HG1 LYS 2 86.415 15.164 -6.283 20 1HD LYS 2 HD2 LYS 2 87.150 15.566 -8.496 21 2HD LYS 2 HD1 LYS 2 85.537 15.314 -9.164 22 1HE LYS 2 HE2 LYS 2 86.152 17.723 -9.076 23 2HE LYS 2 HE1 LYS 2 84.739 17.360 -8.085 24 1HZ LYS 2 HZ1 LYS 2 87.211 18.447 -7.290 25 2HZ LYS 2 HZ2 LYS 2 86.983 16.962 -6.497 26 3HZ LYS 2 HZ3 LYS 2 85.817 18.190 -6.358 27 H THR 3 HN THR 3 87.042 11.218 -9.770 28 HA THR 3 HA THR 3 87.771 8.959 -8.100 29 HB THR 3 HB THR 3 85.033 8.794 -9.369 30 HG1 THR 3 HG1 THR 3 84.207 9.214 -7.335 31 1HG2 THR 3 HG21 THR 3 84.826 6.885 -7.784 32 2HG2 THR 3 HG22 THR 3 86.493 7.157 -7.281 33 3HG2 THR 3 HG23 THR 3 86.141 6.666 -8.938 34 H TYR 4 HN TYR 4 89.161 9.801 -10.188 35 HA TYR 4 HA TYR 4 88.330 8.209 -12.580 36 1HB TYR 4 HB2 TYR 4 89.023 10.686 -12.723 37 2HB TYR 4 HB1 TYR 4 90.662 10.122 -12.414 38 HD1 TYR 4 HD1 TYR 4 88.120 10.585 -14.892 39 HD2 TYR 4 HD2 TYR 4 91.595 8.261 -13.939 40 HE1 TYR 4 HE1 TYR 4 88.354 9.965 -17.282 41 HE2 TYR 4 HE2 TYR 4 91.837 7.637 -16.329 42 HH TYR 4 HH TYR 4 89.565 8.880 -18.786 43 H GLY 5 HN GLY 5 89.378 6.325 -13.019 44 1HA GLY 5 HA2 GLY 5 91.157 4.761 -13.085 45 2HA GLY 5 HA1 GLY 5 92.158 5.905 -12.190 46 H VAL 6 HN VAL 6 89.513 5.948 -10.395 47 HA VAL 6 HA VAL 6 90.584 3.969 -8.483 48 HB VAL 6 HB VAL 6 88.154 5.743 -8.142 49 1HG1 VAL 6 HG11 VAL 6 88.772 5.528 -5.753 50 2HG1 VAL 6 HG12 VAL 6 90.109 4.471 -6.204 51 3HG1 VAL 6 HG13 VAL 6 88.445 3.958 -6.484 52 1HG2 VAL 6 HG21 VAL 6 89.747 7.337 -7.041 53 2HG2 VAL 6 HG22 VAL 6 90.018 7.182 -8.777 54 3HG2 VAL 6 HG23 VAL 6 91.084 6.356 -7.640 55 H SER 7 HN SER 7 89.534 2.056 -7.935 56 HA SER 7 HA SER 7 87.387 1.175 -9.753 57 1HB SER 7 HB2 SER 7 87.696 -0.988 -8.369 58 2HB SER 7 HB1 SER 7 89.011 -0.485 -9.418 59 HG SER 7 HG SER 7 90.143 0.199 -7.693 60 H PHE 8 HN PHE 8 85.463 2.022 -9.172 61 HA PHE 8 HA PHE 8 84.633 2.250 -6.349 62 1HB PHE 8 HB2 PHE 8 82.494 3.089 -7.467 63 2HB PHE 8 HB1 PHE 8 83.942 4.047 -7.755 64 HD1 PHE 8 HD1 PHE 8 81.548 1.657 -9.226 65 HD2 PHE 8 HD2 PHE 8 85.029 4.072 -9.932 66 HE1 PHE 8 HE1 PHE 8 81.291 1.313 -11.668 67 HE2 PHE 8 HE2 PHE 8 84.772 3.728 -12.375 68 HZ PHE 8 HZ PHE 8 82.903 2.349 -13.243 69 H PHE 9 HN PHE 9 83.524 0.654 -5.306 70 HA PHE 9 HA PHE 9 82.288 -1.553 -6.926 71 1HB PHE 9 HB2 PHE 9 83.486 -1.430 -4.155 72 2HB PHE 9 HB1 PHE 9 82.357 -2.713 -4.583 73 HD1 PHE 9 HD1 PHE 9 85.622 -1.163 -5.446 74 HD2 PHE 9 HD2 PHE 9 83.009 -4.528 -5.994 75 HE1 PHE 9 HE1 PHE 9 87.460 -2.415 -6.540 76 HE2 PHE 9 HE2 PHE 9 84.850 -5.780 -7.091 77 HZ PHE 9 HZ PHE 9 87.075 -4.721 -7.364 78 H LEU 10 HN LEU 10 80.069 -1.697 -6.871 79 HA LEU 10 HA LEU 10 78.560 0.206 -5.241 80 1HB LEU 10 HB2 LEU 10 77.706 -0.288 -7.445 81 2HB LEU 10 HB1 LEU 10 77.690 -2.015 -7.112 82 HG LEU 10 HG LEU 10 76.119 -0.491 -5.107 83 1HD1 LEU 10 HD11 LEU 10 75.104 -0.480 -7.962 84 2HD1 LEU 10 HD12 LEU 10 75.748 0.938 -7.136 85 3HD1 LEU 10 HD13 LEU 10 74.284 0.160 -6.536 86 1HD2 LEU 10 HD21 LEU 10 74.561 -2.256 -5.411 87 2HD2 LEU 10 HD22 LEU 10 76.132 -3.019 -5.646 88 3HD2 LEU 10 HD23 LEU 10 75.139 -2.605 -7.041 89 H VAL 11 HN VAL 11 78.198 -0.155 -3.178 90 HA VAL 11 HA VAL 11 77.588 -2.942 -2.253 91 HB VAL 11 HB VAL 11 78.764 -2.481 -0.191 92 1HG1 VAL 11 HG11 VAL 11 80.983 -2.538 -0.995 93 2HG1 VAL 11 HG12 VAL 11 80.637 -1.416 -2.311 94 3HG1 VAL 11 HG13 VAL 11 80.052 -3.076 -2.392 95 1HG2 VAL 11 HG21 VAL 11 80.050 -0.269 -0.018 96 2HG2 VAL 11 HG22 VAL 11 78.299 -0.159 0.174 97 3HG2 VAL 11 HG23 VAL 11 79.052 0.297 -1.354 98 H LYS 12 HN LYS 12 75.988 -3.012 -0.559 99 HA LYS 12 HA LYS 12 74.306 -0.529 -0.445 100 1HB LYS 12 HB2 LYS 12 73.701 -3.427 -0.650 101 2HB LYS 12 HB1 LYS 12 72.692 -2.559 0.504 102 1HG LYS 12 HG2 LYS 12 71.973 -0.992 -1.181 103 2HG LYS 12 HG1 LYS 12 73.137 -1.631 -2.352 104 1HD LYS 12 HD2 LYS 12 71.943 -3.870 -2.121 105 2HD LYS 12 HD1 LYS 12 70.692 -3.012 -1.221 106 1HE LYS 12 HE2 LYS 12 70.081 -3.183 -3.600 107 2HE LYS 12 HE1 LYS 12 70.348 -1.500 -3.145 108 1HZ LYS 12 HZ1 LYS 12 72.783 -2.669 -3.953 109 2HZ LYS 12 HZ2 LYS 12 71.957 -1.349 -4.634 110 3HZ LYS 12 HZ3 LYS 12 71.615 -2.930 -5.155 111 H GLU 13 HN GLU 13 73.645 0.253 1.506 112 HA GLU 13 HA GLU 13 74.954 -0.936 3.937 113 1HB GLU 13 HB2 GLU 13 74.184 1.958 3.472 114 2HB GLU 13 HB1 GLU 13 75.109 1.310 4.826 115 1HG GLU 13 HG2 GLU 13 76.826 0.514 3.147 116 2HG GLU 13 HG1 GLU 13 75.952 1.432 1.923 117 H LYS 14 HN LYS 14 73.706 -0.599 5.938 118 HA LYS 14 HA LYS 14 70.757 -0.677 5.429 119 1HB LYS 14 HB2 LYS 14 72.563 -1.972 7.465 120 2HB LYS 14 HB1 LYS 14 70.872 -1.692 7.872 121 1HG LYS 14 HG2 LYS 14 71.338 -3.959 6.866 122 2HG LYS 14 HG1 LYS 14 70.121 -3.017 6.005 123 1HD LYS 14 HD2 LYS 14 71.590 -2.496 4.232 124 2HD LYS 14 HD1 LYS 14 73.023 -2.892 5.184 125 1HE LYS 14 HE2 LYS 14 70.945 -4.956 4.430 126 2HE LYS 14 HE1 LYS 14 72.356 -4.612 3.433 127 1HZ LYS 14 HZ1 LYS 14 72.513 -5.351 6.299 128 2HZ LYS 14 HZ2 LYS 14 73.797 -5.232 5.193 129 3HZ LYS 14 HZ3 LYS 14 72.647 -6.473 5.034 130 H MET 15 HN MET 15 69.844 1.216 5.848 131 HA MET 15 HA MET 15 71.025 3.255 7.492 132 1HB MET 15 HB2 MET 15 68.384 2.869 6.111 133 2HB MET 15 HB1 MET 15 68.593 4.214 7.216 134 1HG MET 15 HG2 MET 15 70.587 3.686 5.026 135 2HG MET 15 HG1 MET 15 69.126 4.630 4.724 136 1HE MET 15 HE1 MET 15 69.069 7.070 4.928 137 2HE MET 15 HE2 MET 15 69.473 7.860 6.450 138 3HE MET 15 HE3 MET 15 68.352 6.501 6.442 139 H LYS 16 HN LYS 16 70.271 4.038 9.509 140 HA LYS 16 HA LYS 16 70.195 2.980 11.777 141 1HB LYS 16 HB2 LYS 16 67.409 3.991 11.456 142 2HB LYS 16 HB1 LYS 16 68.620 4.391 12.667 143 1HG LYS 16 HG2 LYS 16 68.651 6.354 11.439 144 2HG LYS 16 HG1 LYS 16 69.886 5.453 10.572 145 1HD LYS 16 HD2 LYS 16 68.609 5.986 8.729 146 2HD LYS 16 HD1 LYS 16 67.650 4.593 9.235 147 1HE LYS 16 HE2 LYS 16 66.198 6.533 8.823 148 2HE LYS 16 HE1 LYS 16 66.168 6.097 10.531 149 1HZ LYS 16 HZ1 LYS 16 67.731 7.841 11.003 150 2HZ LYS 16 HZ2 LYS 16 66.413 8.498 10.156 151 3HZ LYS 16 HZ3 LYS 16 67.885 8.215 9.356 152 H GLY 17 HN GLY 17 66.948 2.449 10.409 153 1HA GLY 17 HA2 GLY 17 67.139 -0.421 11.181 154 2HA GLY 17 HA1 GLY 17 65.845 0.550 11.882 155 H LYS 18 HN LYS 18 66.230 1.928 8.956 156 HA LYS 18 HA LYS 18 63.805 0.996 7.872 157 1HB LYS 18 HB2 LYS 18 65.889 1.571 5.806 158 2HB LYS 18 HB1 LYS 18 64.284 2.266 6.013 159 1HG LYS 18 HG2 LYS 18 66.688 2.941 7.703 160 2HG LYS 18 HG1 LYS 18 66.090 3.919 6.382 161 1HD LYS 18 HD2 LYS 18 64.100 3.200 8.510 162 2HD LYS 18 HD1 LYS 18 65.341 4.357 8.947 163 1HE LYS 18 HE2 LYS 18 63.360 5.514 8.074 164 2HE LYS 18 HE1 LYS 18 64.731 5.748 6.991 165 1HZ LYS 18 HZ1 LYS 18 63.893 4.173 5.491 166 2HZ LYS 18 HZ2 LYS 18 62.550 5.117 5.927 167 3HZ LYS 18 HZ3 LYS 18 62.762 3.573 6.603 168 H ASN 19 HN ASN 19 63.194 -0.950 7.094 169 HA ASN 19 HA ASN 19 64.995 -3.167 6.913 170 1HB ASN 19 HB2 ASN 19 62.415 -3.177 7.096 171 2HB ASN 19 HB1 ASN 19 62.421 -2.934 5.354 172 1HD2 ASN 19 HD21 ASN 19 61.347 -5.189 5.411 173 2HD2 ASN 19 HD22 ASN 19 62.374 -6.541 5.436 174 H LYS 20 HN LYS 20 64.625 -0.444 5.097 175 HA LYS 20 HA LYS 20 65.114 -1.481 2.445 176 1HB LYS 20 HB2 LYS 20 64.317 0.948 3.526 177 2HB LYS 20 HB1 LYS 20 65.933 1.309 2.950 178 1HG LYS 20 HG2 LYS 20 64.614 1.758 1.067 179 2HG LYS 20 HG1 LYS 20 65.169 0.120 0.764 180 1HD LYS 20 HD2 LYS 20 62.890 -0.137 0.353 181 2HD LYS 20 HD1 LYS 20 62.953 -0.552 2.065 182 1HE LYS 20 HE2 LYS 20 62.296 1.733 2.669 183 2HE LYS 20 HE1 LYS 20 62.315 2.207 0.971 184 1HZ LYS 20 HZ1 LYS 20 60.649 0.348 0.642 185 2HZ LYS 20 HZ2 LYS 20 60.093 1.736 1.449 186 3HZ LYS 20 HZ3 LYS 20 60.475 0.334 2.329 187 H LEU 21 HN LEU 21 67.123 -0.177 1.385 188 HA LEU 21 HA LEU 21 69.586 -0.590 3.001 189 1HB LEU 21 HB2 LEU 21 69.469 -1.587 0.144 190 2HB LEU 21 HB1 LEU 21 70.648 -1.957 1.391 191 HG LEU 21 HG LEU 21 68.461 -2.965 2.611 192 1HD1 LEU 21 HD11 LEU 21 66.909 -2.358 0.805 193 2HD1 LEU 21 HD12 LEU 21 67.041 -4.111 0.927 194 3HD1 LEU 21 HD13 LEU 21 67.895 -3.249 -0.354 195 1HD2 LEU 21 HD21 LEU 21 69.115 -5.161 1.829 196 2HD2 LEU 21 HD22 LEU 21 70.569 -4.186 2.009 197 3HD2 LEU 21 HD23 LEU 21 69.893 -4.470 0.407 198 H VAL 22 HN VAL 22 71.431 0.594 2.012 199 HA VAL 22 HA VAL 22 70.491 2.788 0.177 200 HB VAL 22 HB VAL 22 72.156 2.835 2.676 201 1HG1 VAL 22 HG11 VAL 22 72.388 4.729 0.326 202 2HG1 VAL 22 HG12 VAL 22 73.685 3.917 1.203 203 3HG1 VAL 22 HG13 VAL 22 72.791 5.229 1.969 204 1HG2 VAL 22 HG21 VAL 22 69.967 4.596 1.523 205 2HG2 VAL 22 HG22 VAL 22 70.775 4.885 3.060 206 3HG2 VAL 22 HG23 VAL 22 69.798 3.433 2.837 207 HA PRO 23 HA PRO 23 73.809 0.811 -2.276 208 1HB PRO 23 HB2 PRO 23 73.319 3.017 -4.172 209 2HB PRO 23 HB1 PRO 23 73.201 1.293 -4.451 210 1HG PRO 23 HG2 PRO 23 71.021 3.012 -4.257 211 2HG PRO 23 HG1 PRO 23 70.941 1.265 -3.973 212 1HD PRO 23 HD2 PRO 23 70.824 3.472 -2.000 213 2HD PRO 23 HD1 PRO 23 70.299 1.779 -1.831 214 H ARG 24 HN ARG 24 75.988 1.441 -2.626 215 HA ARG 24 HA ARG 24 76.797 4.246 -2.184 216 1HB ARG 24 HB2 ARG 24 76.557 3.080 0.106 217 2HB ARG 24 HB1 ARG 24 77.927 2.093 -0.381 218 1HG ARG 24 HG2 ARG 24 79.033 3.819 0.721 219 2HG ARG 24 HG1 ARG 24 79.043 4.443 -0.928 220 1HD ARG 24 HD2 ARG 24 78.264 6.270 0.345 221 2HD ARG 24 HD1 ARG 24 76.777 5.554 -0.276 222 HE ARG 24 HE ARG 24 77.137 4.282 2.150 223 1HH1 ARG 24 HH21 ARG 24 77.061 7.542 1.034 224 2HH1 ARG 24 HH22 ARG 24 76.411 8.173 2.510 225 1HH2 ARG 24 HH11 ARG 24 76.287 5.085 4.083 226 2HH2 ARG 24 HH12 ARG 24 75.971 6.781 4.236 227 H LEU 25 HN LEU 25 78.853 4.633 -3.107 228 HA LEU 25 HA LEU 25 80.013 2.329 -4.625 229 1HB LEU 25 HB2 LEU 25 80.234 5.325 -4.960 230 2HB LEU 25 HB1 LEU 25 81.166 4.183 -5.911 231 HG LEU 25 HG LEU 25 78.142 4.133 -5.744 232 1HD1 LEU 25 HD11 LEU 25 79.846 5.373 -7.925 233 2HD1 LEU 25 HD12 LEU 25 79.012 6.298 -6.680 234 3HD1 LEU 25 HD13 LEU 25 78.085 5.353 -7.843 235 1HD2 LEU 25 HD21 LEU 25 78.591 2.988 -8.065 236 2HD2 LEU 25 HD22 LEU 25 78.820 2.057 -6.593 237 3HD2 LEU 25 HD23 LEU 25 80.212 2.730 -7.428 238 H LEU 26 HN LEU 26 82.145 1.739 -4.225 239 HA LEU 26 HA LEU 26 83.601 3.228 -2.062 240 1HB LEU 26 HB2 LEU 26 82.601 1.126 -1.237 241 2HB LEU 26 HB1 LEU 26 83.419 0.233 -2.513 242 HG LEU 26 HG LEU 26 85.608 0.954 -1.589 243 1HD1 LEU 26 HD11 LEU 26 85.382 1.850 0.880 244 2HD1 LEU 26 HD12 LEU 26 83.806 2.417 0.328 245 3HD1 LEU 26 HD13 LEU 26 85.275 2.976 -0.469 246 1HD2 LEU 26 HD21 LEU 26 83.694 -0.409 0.323 247 2HD2 LEU 26 HD22 LEU 26 85.446 -0.407 0.520 248 3HD2 LEU 26 HD23 LEU 26 84.718 -1.186 -0.885 249 H GLY 27 HN GLY 27 85.234 4.193 -3.129 250 1HA GLY 27 HA2 GLY 27 86.615 2.889 -5.367 251 2HA GLY 27 HA1 GLY 27 86.869 4.532 -4.825 252 H ILE 28 HN ILE 28 88.470 1.782 -5.158 253 HA ILE 28 HA ILE 28 89.961 1.945 -2.564 254 HB ILE 28 HB ILE 28 90.301 -0.144 -4.739 255 1HG1 ILE 28 HG12 ILE 28 87.974 -0.274 -4.095 256 2HG1 ILE 28 HG11 ILE 28 88.826 -1.582 -3.279 257 1HG2 ILE 28 HG21 ILE 28 91.338 -1.431 -2.994 258 2HG2 ILE 28 HG22 ILE 28 90.823 -0.280 -1.761 259 3HG2 ILE 28 HG23 ILE 28 92.049 0.182 -2.940 260 1HD1 ILE 28 HD11 ILE 28 87.865 1.025 -2.114 261 2HD1 ILE 28 HD12 ILE 28 89.062 0.028 -1.293 262 3HD1 ILE 28 HD13 ILE 28 87.450 -0.609 -1.610 263 H THR 29 HN THR 29 91.645 3.383 -2.729 264 HA THR 29 HA THR 29 92.924 3.815 -5.366 265 HB THR 29 HB THR 29 93.885 5.174 -2.859 266 HG1 THR 29 HG1 THR 29 91.751 5.404 -2.536 267 1HG2 THR 29 HG21 THR 29 94.014 7.097 -4.417 268 2HG2 THR 29 HG22 THR 29 93.316 6.098 -5.692 269 3HG2 THR 29 HG23 THR 29 94.903 5.705 -5.033 270 H LYS 30 HN LYS 30 95.410 3.927 -5.308 271 HA LYS 30 HA LYS 30 96.408 1.359 -4.461 272 1HB LYS 30 HB2 LYS 30 98.600 2.226 -5.262 273 2HB LYS 30 HB1 LYS 30 97.313 2.467 -6.445 274 1HG LYS 30 HG2 LYS 30 96.996 4.785 -5.550 275 2HG LYS 30 HG1 LYS 30 98.387 4.532 -4.502 276 1HD LYS 30 HD2 LYS 30 99.428 5.556 -6.311 277 2HD LYS 30 HD1 LYS 30 99.588 3.865 -6.782 278 1HE LYS 30 HE2 LYS 30 98.731 4.858 -8.728 279 2HE LYS 30 HE1 LYS 30 97.272 4.238 -7.956 280 1HZ LYS 30 HZ1 LYS 30 98.132 6.970 -8.361 281 2HZ LYS 30 HZ2 LYS 30 97.499 6.647 -6.818 282 3HZ LYS 30 HZ3 LYS 30 96.567 6.336 -8.204 283 H GLU 31 HN GLU 31 96.156 4.420 -2.936 284 HA GLU 31 HA GLU 31 97.846 3.439 -0.662 285 1HB GLU 31 HB2 GLU 31 97.741 6.214 -1.856 286 2HB GLU 31 HB1 GLU 31 98.538 5.824 -0.338 287 1HG GLU 31 HG2 GLU 31 99.404 4.006 -2.459 288 2HG GLU 31 HG1 GLU 31 99.675 5.675 -2.922 289 H CYS 32 HN CYS 32 94.760 4.062 -1.488 290 HA CYS 32 HA CYS 32 93.958 4.494 1.248 291 1HB CYS 32 HB2 CYS 32 92.799 6.816 0.454 292 2HB CYS 32 HB1 CYS 32 94.387 6.764 1.202 293 HG CYS 32 HG CYS 32 93.900 7.057 -1.866 294 H VAL 33 HN VAL 33 91.612 4.695 1.482 295 HA VAL 33 HA VAL 33 90.090 3.641 -0.890 296 HB VAL 33 HB VAL 33 89.669 3.187 2.087 297 1HG1 VAL 33 HG11 VAL 33 87.991 2.504 -0.325 298 2HG1 VAL 33 HG12 VAL 33 87.496 3.327 1.152 299 3HG1 VAL 33 HG13 VAL 33 87.855 1.601 1.183 300 1HG2 VAL 33 HG21 VAL 33 90.605 1.447 -0.195 301 2HG2 VAL 33 HG22 VAL 33 89.933 0.752 1.279 302 3HG2 VAL 33 HG23 VAL 33 91.394 1.736 1.354 303 H MET 34 HN MET 34 88.105 4.771 -1.350 304 HA MET 34 HA MET 34 87.627 7.186 0.375 305 1HB MET 34 HB2 MET 34 86.698 8.174 -1.825 306 2HB MET 34 HB1 MET 34 88.446 8.067 -1.633 307 1HG MET 34 HG2 MET 34 86.956 5.766 -2.867 308 2HG MET 34 HG1 MET 34 87.338 7.179 -3.845 309 1HE MET 34 HE1 MET 34 90.680 7.944 -2.740 310 2HE MET 34 HE2 MET 34 89.355 8.327 -3.834 311 3HE MET 34 HE3 MET 34 90.762 7.458 -4.438 312 H ARG 35 HN ARG 35 85.557 7.875 0.754 313 HA ARG 35 HA ARG 35 83.489 5.741 0.412 314 1HB ARG 35 HB2 ARG 35 83.586 8.327 1.991 315 2HB ARG 35 HB1 ARG 35 82.113 7.385 1.822 316 1HG ARG 35 HG2 ARG 35 83.575 5.386 2.681 317 2HG ARG 35 HG1 ARG 35 84.667 6.649 3.247 318 1HD ARG 35 HD2 ARG 35 81.957 5.903 4.240 319 2HD ARG 35 HD1 ARG 35 83.328 6.561 5.125 320 HE ARG 35 HE ARG 35 82.493 8.687 3.571 321 1HH1 ARG 35 HH21 ARG 35 81.032 6.453 5.751 322 2HH1 ARG 35 HH22 ARG 35 79.833 7.571 6.309 323 1HH2 ARG 35 HH11 ARG 35 80.934 10.163 4.292 324 2HH2 ARG 35 HH12 ARG 35 79.779 9.672 5.484 325 H VAL 36 HN VAL 36 82.354 5.869 -1.452 326 HA VAL 36 HA VAL 36 81.798 8.580 -2.590 327 HB VAL 36 HB VAL 36 82.177 5.963 -4.055 328 1HG1 VAL 36 HG11 VAL 36 82.105 7.341 -6.073 329 2HG1 VAL 36 HG12 VAL 36 81.937 8.803 -5.101 330 3HG1 VAL 36 HG13 VAL 36 80.632 7.620 -5.146 331 1HG2 VAL 36 HG21 VAL 36 83.986 8.332 -3.574 332 2HG2 VAL 36 HG22 VAL 36 84.245 7.208 -4.908 333 3HG2 VAL 36 HG23 VAL 36 84.312 6.631 -3.243 334 H ASP 37 HN ASP 37 79.693 9.073 -2.428 335 HA ASP 37 HA ASP 37 77.677 7.128 -1.754 336 1HB ASP 37 HB2 ASP 37 77.670 9.693 -1.332 337 2HB ASP 37 HB1 ASP 37 77.105 9.828 -2.996 338 H GLU 38 HN GLU 38 76.034 6.282 -3.103 339 HA GLU 38 HA GLU 38 76.816 6.024 -5.944 340 1HB GLU 38 HB2 GLU 38 76.056 4.117 -4.385 341 2HB GLU 38 HB1 GLU 38 74.452 4.804 -4.544 342 1HG GLU 38 HG2 GLU 38 76.129 4.029 -6.931 343 2HG GLU 38 HG1 GLU 38 75.005 2.918 -6.146 344 H LYS 39 HN LYS 39 74.681 7.633 -3.897 345 HA LYS 39 HA LYS 39 72.598 8.285 -5.762 346 1HB LYS 39 HB2 LYS 39 72.328 8.332 -3.311 347 2HB LYS 39 HB1 LYS 39 73.492 9.644 -3.222 348 1HG LYS 39 HG2 LYS 39 72.030 11.072 -4.585 349 2HG LYS 39 HG1 LYS 39 70.865 9.755 -4.731 350 1HD LYS 39 HD2 LYS 39 70.445 9.777 -2.351 351 2HD LYS 39 HD1 LYS 39 71.751 10.933 -2.086 352 1HE LYS 39 HE2 LYS 39 69.579 12.085 -2.071 353 2HE LYS 39 HE1 LYS 39 70.541 12.603 -3.456 354 1HZ LYS 39 HZ1 LYS 39 68.389 12.158 -4.262 355 2HZ LYS 39 HZ2 LYS 39 68.285 10.682 -3.427 356 3HZ LYS 39 HZ3 LYS 39 69.340 10.841 -4.749 357 H THR 40 HN THR 40 75.349 10.101 -4.436 358 HA THR 40 HA THR 40 75.053 12.105 -6.637 359 HB THR 40 HB THR 40 76.526 13.515 -5.208 360 HG1 THR 40 HG1 THR 40 76.872 12.735 -3.068 361 1HG2 THR 40 HG21 THR 40 74.829 14.106 -3.658 362 2HG2 THR 40 HG22 THR 40 74.218 12.453 -3.579 363 3HG2 THR 40 HG23 THR 40 73.968 13.417 -5.035 364 H LYS 41 HN LYS 41 76.877 9.338 -5.960 365 HA LYS 41 HA LYS 41 78.993 8.623 -6.750 366 1HB LYS 41 HB2 LYS 41 77.888 10.439 -8.869 367 2HB LYS 41 HB1 LYS 41 79.552 9.890 -9.041 368 1HG LYS 41 HG2 LYS 41 78.722 7.523 -8.756 369 2HG LYS 41 HG1 LYS 41 77.077 8.156 -8.813 370 1HD LYS 41 HD2 LYS 41 79.165 8.516 -10.983 371 2HD LYS 41 HD1 LYS 41 77.836 7.360 -11.035 372 1HE LYS 41 HE2 LYS 41 76.330 9.468 -10.617 373 2HE LYS 41 HE1 LYS 41 77.734 10.361 -11.202 374 1HZ LYS 41 HZ1 LYS 41 76.212 9.797 -12.996 375 2HZ LYS 41 HZ2 LYS 41 76.383 8.143 -12.642 376 3HZ LYS 41 HZ3 LYS 41 77.713 9.037 -13.208 377 H GLU 42 HN GLU 42 78.769 11.077 -4.966 378 HA GLU 42 HA GLU 42 81.262 12.522 -5.751 379 1HB GLU 42 HB2 GLU 42 78.810 13.313 -4.517 380 2HB GLU 42 HB1 GLU 42 80.070 13.535 -3.312 381 1HG GLU 42 HG2 GLU 42 79.853 15.575 -4.612 382 2HG GLU 42 HG1 GLU 42 81.387 14.808 -5.009 383 H VAL 43 HN VAL 43 82.936 12.801 -4.125 384 HA VAL 43 HA VAL 43 83.368 10.357 -2.545 385 HB VAL 43 HB VAL 43 85.046 12.841 -3.002 386 1HG1 VAL 43 HG11 VAL 43 85.567 10.360 -1.352 387 2HG1 VAL 43 HG12 VAL 43 85.682 12.045 -0.844 388 3HG1 VAL 43 HG13 VAL 43 86.872 11.379 -1.962 389 1HG2 VAL 43 HG21 VAL 43 86.324 11.488 -4.477 390 2HG2 VAL 43 HG22 VAL 43 84.648 11.107 -4.866 391 3HG2 VAL 43 HG23 VAL 43 85.596 10.000 -3.874 392 H ILE 44 HN ILE 44 82.721 10.190 -0.455 393 HA ILE 44 HA ILE 44 81.980 12.665 1.003 394 HB ILE 44 HB ILE 44 81.498 9.833 1.912 395 1HG1 ILE 44 HG12 ILE 44 80.569 9.964 -0.325 396 2HG1 ILE 44 HG11 ILE 44 79.240 10.095 0.824 397 1HG2 ILE 44 HG21 ILE 44 81.177 11.743 3.500 398 2HG2 ILE 44 HG22 ILE 44 79.683 10.868 3.161 399 3HG2 ILE 44 HG23 ILE 44 79.992 12.420 2.384 400 1HD1 ILE 44 HD11 ILE 44 80.530 12.292 -0.798 401 2HD1 ILE 44 HD12 ILE 44 79.534 12.647 0.611 402 3HD1 ILE 44 HD13 ILE 44 78.837 11.808 -0.772 403 H GLN 45 HN GLN 45 84.312 10.019 1.120 404 HA GLN 45 HA GLN 45 85.856 11.526 3.087 405 1HB GLN 45 HB2 GLN 45 84.251 10.430 4.587 406 2HB GLN 45 HB1 GLN 45 84.688 8.861 3.925 407 1HG GLN 45 HG2 GLN 45 86.839 8.902 4.865 408 2HG GLN 45 HG1 GLN 45 86.807 10.653 5.095 409 1HE2 GLN 45 HE21 GLN 45 87.193 10.532 7.397 410 2HE2 GLN 45 HE22 GLN 45 86.026 9.930 8.469 411 H GLU 46 HN GLU 46 87.872 10.367 3.669 412 HA GLU 46 HA GLU 46 88.801 8.415 1.634 413 1HB GLU 46 HB2 GLU 46 89.964 11.083 2.353 414 2HB GLU 46 HB1 GLU 46 91.038 9.788 1.821 415 1HG GLU 46 HG2 GLU 46 89.689 9.523 -0.236 416 2HG GLU 46 HG1 GLU 46 88.645 10.847 0.285 417 H TRP 47 HN TRP 47 90.498 7.028 2.318 418 HA TRP 47 HA TRP 47 91.259 7.151 5.196 419 1HB TRP 47 HB2 TRP 47 90.095 4.764 3.750 420 2HB TRP 47 HB1 TRP 47 90.940 4.639 5.282 421 HD1 TRP 47 HD1 TRP 47 89.769 6.987 6.923 422 HE1 TRP 47 HE1 TRP 47 87.284 7.025 7.593 423 HE3 TRP 47 HE3 TRP 47 87.843 3.801 3.420 424 HZ2 TRP 47 HZ2 TRP 47 84.822 5.860 6.779 425 HZ3 TRP 47 HZ3 TRP 47 85.422 3.279 3.397 426 HH2 TRP 47 HH2 TRP 47 83.907 4.302 5.071 427 H SER 48 HN SER 48 93.261 6.013 5.633 428 HA SER 48 HA SER 48 95.020 5.884 3.266 429 1HB SER 48 HB2 SER 48 95.476 5.733 6.236 430 2HB SER 48 HB1 SER 48 96.754 5.321 5.100 431 HG SER 48 HG SER 48 97.012 7.367 4.730 432 H LEU 49 HN LEU 49 95.949 3.965 2.487 433 HA LEU 49 HA LEU 49 94.505 1.526 2.988 434 1HB LEU 49 HB2 LEU 49 96.543 2.493 1.151 435 2HB LEU 49 HB1 LEU 49 97.009 0.902 1.737 436 HG LEU 49 HG LEU 49 94.215 1.443 0.711 437 1HD1 LEU 49 HD11 LEU 49 96.723 0.784 -0.836 438 2HD1 LEU 49 HD12 LEU 49 95.531 2.041 -1.165 439 3HD1 LEU 49 HD13 LEU 49 95.123 0.347 -1.436 440 1HD2 LEU 49 HD21 LEU 49 94.071 -0.923 0.552 441 2HD2 LEU 49 HD22 LEU 49 94.910 -0.645 2.078 442 3HD2 LEU 49 HD23 LEU 49 95.822 -1.119 0.646 443 H THR 50 HN THR 50 97.364 2.963 4.360 444 HA THR 50 HA THR 50 98.339 0.508 5.561 445 HB THR 50 HB THR 50 99.023 3.262 6.561 446 HG1 THR 50 HG1 THR 50 99.647 2.065 4.099 447 1HG2 THR 50 HG21 THR 50 99.936 1.014 7.495 448 2HG2 THR 50 HG22 THR 50 101.090 2.296 7.131 449 3HG2 THR 50 HG23 THR 50 100.877 0.957 6.004 450 H ASN 51 HN ASN 51 95.681 2.422 6.192 451 HA ASN 51 HA ASN 51 95.777 2.159 9.135 452 1HB ASN 51 HB2 ASN 51 93.779 3.345 7.200 453 2HB ASN 51 HB1 ASN 51 93.411 3.149 8.913 454 1HD2 ASN 51 HD21 ASN 51 96.745 3.758 8.086 455 2HD2 ASN 51 HD22 ASN 51 96.781 5.381 8.582 456 H ILE 52 HN ILE 52 94.177 0.640 6.370 457 HA ILE 52 HA ILE 52 92.205 -0.840 7.757 458 HB ILE 52 HB ILE 52 93.829 -1.604 5.311 459 1HG1 ILE 52 HG12 ILE 52 91.006 -0.518 5.564 460 2HG1 ILE 52 HG11 ILE 52 92.414 0.482 5.211 461 1HG2 ILE 52 HG21 ILE 52 91.378 -2.850 6.583 462 2HG2 ILE 52 HG22 ILE 52 92.908 -3.636 6.193 463 3HG2 ILE 52 HG23 ILE 52 91.822 -3.133 4.899 464 1HD1 ILE 52 HD11 ILE 52 91.574 -1.900 3.538 465 2HD1 ILE 52 HD12 ILE 52 92.842 -0.734 3.162 466 3HD1 ILE 52 HD13 ILE 52 91.153 -0.230 3.159 467 H LYS 53 HN LYS 53 92.380 -2.422 9.258 468 HA LYS 53 HA LYS 53 95.061 -3.598 9.787 469 1HB LYS 53 HB2 LYS 53 93.899 -2.653 11.708 470 2HB LYS 53 HB1 LYS 53 92.475 -3.638 11.371 471 1HG LYS 53 HG2 LYS 53 93.609 -5.656 11.916 472 2HG LYS 53 HG1 LYS 53 95.188 -4.870 11.870 473 1HD LYS 53 HD2 LYS 53 94.671 -3.581 13.857 474 2HD LYS 53 HD1 LYS 53 93.011 -4.176 13.860 475 1HE LYS 53 HE2 LYS 53 93.692 -6.389 14.412 476 2HE LYS 53 HE1 LYS 53 95.379 -6.045 14.032 477 1HZ LYS 53 HZ1 LYS 53 93.949 -4.574 16.157 478 2HZ LYS 53 HZ2 LYS 53 95.624 -4.748 15.930 479 3HZ LYS 53 HZ3 LYS 53 94.695 -6.064 16.470 480 H ARG 54 HN ARG 54 91.671 -4.701 9.376 481 HA ARG 54 HA ARG 54 92.676 -7.142 8.024 482 1HB ARG 54 HB2 ARG 54 91.180 -8.558 9.506 483 2HB ARG 54 HB1 ARG 54 92.619 -7.926 10.303 484 1HG ARG 54 HG2 ARG 54 91.416 -6.441 11.622 485 2HG ARG 54 HG1 ARG 54 90.149 -6.231 10.419 486 1HD ARG 54 HD2 ARG 54 89.041 -8.201 11.048 487 2HD ARG 54 HD1 ARG 54 90.474 -8.874 11.827 488 HE ARG 54 HE ARG 54 89.886 -6.547 13.268 489 1HH1 ARG 54 HH21 ARG 54 88.260 -9.441 12.331 490 2HH1 ARG 54 HH22 ARG 54 87.235 -9.474 13.726 491 1HH2 ARG 54 HH11 ARG 54 88.559 -6.575 15.093 492 2HH2 ARG 54 HH12 ARG 54 87.404 -7.850 15.291 493 H TRP 55 HN TRP 55 90.617 -8.516 7.423 494 HA TRP 55 HA TRP 55 88.163 -6.970 7.100 495 1HB TRP 55 HB2 TRP 55 88.178 -7.172 4.590 496 2HB TRP 55 HB1 TRP 55 89.368 -6.034 5.222 497 HD1 TRP 55 HD1 TRP 55 89.129 -9.665 3.959 498 HE1 TRP 55 HE1 TRP 55 91.432 -10.351 3.016 499 HE3 TRP 55 HE3 TRP 55 91.842 -5.502 5.139 500 HZ2 TRP 55 HZ2 TRP 55 94.070 -9.271 2.788 501 HZ3 TRP 55 HZ3 TRP 55 94.243 -5.358 4.549 502 HH2 TRP 55 HH2 TRP 55 95.360 -7.235 3.375 503 H ALA 56 HN ALA 56 86.567 -8.293 5.730 504 HA ALA 56 HA ALA 56 87.143 -11.201 5.733 505 1HB ALA 56 HB1 ALA 56 84.905 -11.559 6.949 506 2HB ALA 56 HB2 ALA 56 85.026 -9.870 7.440 507 3HB ALA 56 HB3 ALA 56 86.262 -11.024 7.941 508 H ALA 57 HN ALA 57 86.457 -11.836 3.742 509 HA ALA 57 HA ALA 57 84.320 -10.264 2.382 510 1HB ALA 57 HB1 ALA 57 85.087 -11.398 0.344 511 2HB ALA 57 HB2 ALA 57 86.212 -12.368 1.296 512 3HB ALA 57 HB3 ALA 57 86.438 -10.624 1.169 513 H SER 58 HN SER 58 82.338 -11.046 2.898 514 HA SER 58 HA SER 58 81.937 -13.957 3.174 515 1HB SER 58 HB2 SER 58 80.408 -11.494 3.906 516 2HB SER 58 HB1 SER 58 79.485 -12.965 3.629 517 HG SER 58 HG SER 58 81.513 -13.703 5.069 518 HA PRO 59 HA PRO 59 80.353 -14.452 -0.919 519 1HB PRO 59 HB2 PRO 59 77.976 -15.925 -0.293 520 2HB PRO 59 HB1 PRO 59 79.557 -16.593 -0.719 521 1HG PRO 59 HG2 PRO 59 78.275 -16.416 1.940 522 2HG PRO 59 HG1 PRO 59 79.637 -17.425 1.424 523 1HD PRO 59 HD2 PRO 59 79.830 -15.155 3.069 524 2HD PRO 59 HD1 PRO 59 81.180 -15.904 2.196 525 H LYS 60 HN LYS 60 78.915 -12.515 1.361 526 HA LYS 60 HA LYS 60 77.029 -11.390 -0.650 527 1HB LYS 60 HB2 LYS 60 75.232 -11.304 1.002 528 2HB LYS 60 HB1 LYS 60 75.757 -12.968 0.773 529 1HG LYS 60 HG2 LYS 60 77.369 -12.493 2.767 530 2HG LYS 60 HG1 LYS 60 76.298 -11.133 3.088 531 1HD LYS 60 HD2 LYS 60 74.376 -12.839 2.974 532 2HD LYS 60 HD1 LYS 60 75.634 -14.072 3.080 533 1HE LYS 60 HE2 LYS 60 76.431 -13.122 5.193 534 2HE LYS 60 HE1 LYS 60 75.238 -11.828 5.083 535 1HZ LYS 60 HZ1 LYS 60 74.481 -14.689 5.091 536 2HZ LYS 60 HZ2 LYS 60 73.483 -13.340 5.350 537 3HZ LYS 60 HZ3 LYS 60 74.631 -13.787 6.519 538 H SER 61 HN SER 61 79.185 -10.949 2.011 539 HA SER 61 HA SER 61 78.750 -7.997 1.821 540 1HB SER 61 HB2 SER 61 78.941 -7.898 4.348 541 2HB SER 61 HB1 SER 61 77.436 -8.569 3.728 542 HG SER 61 HG SER 61 78.968 -9.700 5.434 543 H PHE 62 HN PHE 62 80.467 -6.740 2.793 544 HA PHE 62 HA PHE 62 83.115 -8.141 2.949 545 1HB PHE 62 HB2 PHE 62 82.887 -6.980 0.765 546 2HB PHE 62 HB1 PHE 62 82.525 -5.478 1.612 547 HD1 PHE 62 HD1 PHE 62 85.106 -8.207 1.648 548 HD2 PHE 62 HD2 PHE 62 84.305 -4.004 2.007 549 HE1 PHE 62 HE1 PHE 62 87.532 -7.766 1.893 550 HE2 PHE 62 HE2 PHE 62 86.733 -3.565 2.247 551 HZ PHE 62 HZ PHE 62 88.346 -5.445 2.191 552 H THR 63 HN THR 63 84.451 -7.356 4.623 553 HA THR 63 HA THR 63 83.466 -4.975 6.159 554 HB THR 63 HB THR 63 84.167 -7.706 7.257 555 HG1 THR 63 HG1 THR 63 82.073 -7.474 8.138 556 1HG2 THR 63 HG21 THR 63 83.619 -6.503 9.489 557 2HG2 THR 63 HG22 THR 63 83.979 -5.018 8.609 558 3HG2 THR 63 HG23 THR 63 85.220 -6.260 8.790 559 H LEU 64 HN LEU 64 85.065 -3.813 7.237 560 HA LEU 64 HA LEU 64 87.874 -4.723 7.010 561 1HB LEU 64 HB2 LEU 64 88.588 -2.519 6.106 562 2HB LEU 64 HB1 LEU 64 87.634 -3.465 4.978 563 HG LEU 64 HG LEU 64 85.607 -2.099 6.099 564 1HD1 LEU 64 HD11 LEU 64 86.463 0.324 6.339 565 2HD1 LEU 64 HD12 LEU 64 88.059 -0.381 6.555 566 3HD1 LEU 64 HD13 LEU 64 86.766 -0.765 7.688 567 1HD2 LEU 64 HD21 LEU 64 87.486 -1.255 3.890 568 2HD2 LEU 64 HD22 LEU 64 86.043 -0.311 4.267 569 3HD2 LEU 64 HD23 LEU 64 85.889 -1.990 3.756 570 H ASP 65 HN ASP 65 89.283 -3.609 8.474 571 HA ASP 65 HA ASP 65 87.861 -2.040 10.609 572 1HB ASP 65 HB2 ASP 65 90.079 -4.023 11.150 573 2HB ASP 65 HB1 ASP 65 88.990 -3.271 12.310 574 H PHE 66 HN PHE 66 88.804 -0.116 10.964 575 HA PHE 66 HA PHE 66 91.519 0.402 9.869 576 1HB PHE 66 HB2 PHE 66 89.423 2.232 11.074 577 2HB PHE 66 HB1 PHE 66 90.978 2.775 10.452 578 HD1 PHE 66 HD1 PHE 66 91.538 1.800 7.994 579 HD2 PHE 66 HD2 PHE 66 87.599 2.364 9.616 580 HE1 PHE 66 HE1 PHE 66 90.600 1.873 5.700 581 HE2 PHE 66 HE2 PHE 66 86.665 2.437 7.324 582 HZ PHE 66 HZ PHE 66 88.167 2.186 5.366 583 H GLY 67 HN GLY 67 90.251 -0.768 12.657 584 1HA GLY 67 HA2 GLY 67 91.440 -1.197 14.683 585 2HA GLY 67 HA1 GLY 67 92.636 0.014 14.213 586 H ASP 68 HN ASP 68 89.782 1.473 13.602 587 HA ASP 68 HA ASP 68 89.966 3.156 15.962 588 1HB ASP 68 HB2 ASP 68 87.744 4.073 14.908 589 2HB ASP 68 HB1 ASP 68 89.264 4.335 14.065 590 H TYR 69 HN TYR 69 89.402 2.081 17.833 591 HA TYR 69 HA TYR 69 87.270 0.181 18.044 592 1HB TYR 69 HB2 TYR 69 89.047 0.200 19.688 593 2HB TYR 69 HB1 TYR 69 88.690 1.873 20.115 594 HD1 TYR 69 HD1 TYR 69 86.962 2.417 21.661 595 HD2 TYR 69 HD2 TYR 69 87.335 -1.586 20.158 596 HE1 TYR 69 HE1 TYR 69 85.303 1.636 23.334 597 HE2 TYR 69 HE2 TYR 69 85.678 -2.371 21.829 598 HH TYR 69 HH TYR 69 83.633 -0.396 23.451 599 H GLN 70 HN GLN 70 87.481 3.665 18.576 600 HA GLN 70 HA GLN 70 84.834 3.948 19.678 601 1HB GLN 70 HB2 GLN 70 85.165 6.359 19.237 602 2HB GLN 70 HB1 GLN 70 86.556 5.644 20.033 603 1HG GLN 70 HG2 GLN 70 87.667 6.782 18.361 604 2HG GLN 70 HG1 GLN 70 87.352 5.286 17.496 605 1HE2 GLN 70 HE21 GLN 70 87.677 7.600 15.970 606 2HE2 GLN 70 HE22 GLN 70 86.185 8.093 15.330 607 H ASP 71 HN ASP 71 86.121 4.594 16.396 608 HA ASP 71 HA ASP 71 83.590 5.305 15.291 609 1HB ASP 71 HB2 ASP 71 85.990 5.618 14.335 610 2HB ASP 71 HB1 ASP 71 85.765 4.003 13.680 611 H GLY 72 HN GLY 72 85.281 2.217 15.572 612 1HA GLY 72 HA2 GLY 72 84.140 0.102 15.790 613 2HA GLY 72 HA1 GLY 72 82.713 0.820 15.048 614 H TYR 73 HN TYR 73 83.179 -1.439 13.895 615 HA TYR 73 HA TYR 73 85.202 -1.304 11.780 616 1HB TYR 73 HB2 TYR 73 82.929 -3.275 12.135 617 2HB TYR 73 HB1 TYR 73 84.342 -3.481 11.108 618 HD1 TYR 73 HD1 TYR 73 86.659 -3.036 12.399 619 HD2 TYR 73 HD2 TYR 73 82.998 -4.329 14.224 620 HE1 TYR 73 HE1 TYR 73 87.943 -3.978 14.300 621 HE2 TYR 73 HE2 TYR 73 84.276 -5.271 16.129 622 HH TYR 73 HH TYR 73 87.200 -6.090 16.150 623 H TYR 74 HN TYR 74 84.309 -1.948 9.492 624 HA TYR 74 HA TYR 74 81.889 -0.337 8.818 625 1HB TYR 74 HB2 TYR 74 84.025 0.908 8.309 626 2HB TYR 74 HB1 TYR 74 84.457 -0.414 7.230 627 HD1 TYR 74 HD1 TYR 74 81.821 2.149 7.871 628 HD2 TYR 74 HD2 TYR 74 83.620 -0.513 5.017 629 HE1 TYR 74 HE1 TYR 74 80.464 3.166 6.063 630 HE2 TYR 74 HE2 TYR 74 82.263 0.505 3.210 631 HH TYR 74 HH TYR 74 80.959 2.296 2.679 632 H SER 75 HN SER 75 80.532 -1.925 8.178 633 HA SER 75 HA SER 75 81.497 -3.939 6.194 634 1HB SER 75 HB2 SER 75 81.076 -4.957 8.425 635 2HB SER 75 HB1 SER 75 79.420 -4.364 8.354 636 HG SER 75 HG SER 75 80.517 -5.925 6.275 637 H VAL 76 HN VAL 76 80.073 -4.496 4.555 638 HA VAL 76 HA VAL 76 77.421 -3.201 4.415 639 HB VAL 76 HB VAL 76 77.938 -2.168 2.205 640 1HG1 VAL 76 HG11 VAL 76 79.897 -1.188 4.294 641 2HG1 VAL 76 HG12 VAL 76 78.156 -0.939 4.438 642 3HG1 VAL 76 HG13 VAL 76 79.038 -0.239 3.082 643 1HG2 VAL 76 HG21 VAL 76 79.819 -3.600 1.565 644 2HG2 VAL 76 HG22 VAL 76 80.768 -3.002 2.925 645 3HG2 VAL 76 HG23 VAL 76 80.350 -1.920 1.599 646 H GLN 77 HN GLN 77 76.354 -3.916 2.247 647 HA GLN 77 HA GLN 77 76.756 -6.791 2.011 648 1HB GLN 77 HB2 GLN 77 74.810 -4.778 0.915 649 2HB GLN 77 HB1 GLN 77 74.926 -6.345 0.121 650 1HG GLN 77 HG2 GLN 77 74.565 -7.437 2.353 651 2HG GLN 77 HG1 GLN 77 74.288 -5.839 3.039 652 1HE2 GLN 77 HE21 GLN 77 72.157 -7.569 3.229 653 2HE2 GLN 77 HE22 GLN 77 70.948 -7.167 2.107 654 H THR 78 HN THR 78 77.637 -7.891 0.286 655 HA THR 78 HA THR 78 78.451 -6.449 -2.153 656 HB THR 78 HB THR 78 80.794 -7.213 -1.972 657 HG1 THR 78 HG1 THR 78 81.213 -7.730 0.451 658 1HG2 THR 78 HG21 THR 78 81.534 -5.513 -0.503 659 2HG2 THR 78 HG22 THR 78 80.124 -5.684 0.541 660 3HG2 THR 78 HG23 THR 78 79.958 -4.958 -1.055 661 H THR 79 HN THR 79 77.895 -7.798 -3.764 662 HA THR 79 HA THR 79 77.160 -10.537 -3.336 663 HB THR 79 HB THR 79 77.953 -9.245 -5.958 664 HG1 THR 79 HG1 THR 79 75.757 -8.940 -4.302 665 1HG2 THR 79 HG21 THR 79 76.015 -11.489 -5.339 666 2HG2 THR 79 HG22 THR 79 77.659 -11.724 -5.932 667 3HG2 THR 79 HG23 THR 79 76.467 -10.903 -6.939 668 H GLU 80 HN GLU 80 80.139 -8.941 -4.193 669 HA GLU 80 HA GLU 80 81.501 -11.560 -4.602 670 1HB GLU 80 HB2 GLU 80 82.617 -8.802 -5.120 671 2HB GLU 80 HB1 GLU 80 83.252 -10.342 -5.697 672 1HG GLU 80 HG2 GLU 80 80.519 -9.273 -6.459 673 2HG GLU 80 HG1 GLU 80 81.957 -9.030 -7.430 674 H GLY 81 HN GLY 81 82.527 -8.448 -3.286 675 1HA GLY 81 HA2 GLY 81 83.576 -7.920 -1.250 676 2HA GLY 81 HA1 GLY 81 82.948 -9.438 -0.612 677 H GLU 82 HN GLU 82 84.191 -11.115 -2.626 678 HA GLU 82 HA GLU 82 86.750 -11.520 -1.390 679 1HB GLU 82 HB2 GLU 82 85.726 -13.442 -2.339 680 2HB GLU 82 HB1 GLU 82 85.401 -12.618 -3.857 681 1HG GLU 82 HG2 GLU 82 87.652 -12.700 -4.524 682 2HG GLU 82 HG1 GLU 82 88.215 -13.061 -2.899 683 H GLN 83 HN GLN 83 85.915 -10.505 -4.689 684 HA GLN 83 HA GLN 83 88.470 -9.819 -5.604 685 1HB GLN 83 HB2 GLN 83 86.014 -8.164 -6.183 686 2HB GLN 83 HB1 GLN 83 87.406 -8.405 -7.223 687 1HG GLN 83 HG2 GLN 83 86.817 -10.726 -7.556 688 2HG GLN 83 HG1 GLN 83 85.530 -10.608 -6.370 689 1HE2 GLN 83 HE21 GLN 83 83.659 -10.787 -7.574 690 2HE2 GLN 83 HE22 GLN 83 83.277 -9.821 -8.914 691 H ILE 84 HN ILE 84 86.148 -7.814 -3.862 692 HA ILE 84 HA ILE 84 87.664 -5.442 -3.682 693 HB ILE 84 HB ILE 84 85.951 -6.614 -1.470 694 1HG1 ILE 84 HG12 ILE 84 85.179 -5.098 -3.982 695 2HG1 ILE 84 HG11 ILE 84 84.676 -6.726 -3.529 696 1HG2 ILE 84 HG21 ILE 84 86.362 -3.724 -2.269 697 2HG2 ILE 84 HG22 ILE 84 87.356 -4.525 -1.054 698 3HG2 ILE 84 HG23 ILE 84 85.624 -4.341 -0.791 699 1HD1 ILE 84 HD11 ILE 84 83.837 -4.093 -2.328 700 2HD1 ILE 84 HD12 ILE 84 83.697 -5.586 -1.400 701 3HD1 ILE 84 HD13 ILE 84 82.823 -5.408 -2.921 702 H ALA 85 HN ALA 85 87.919 -8.492 -1.983 703 HA ALA 85 HA ALA 85 89.942 -7.482 -0.096 704 1HB ALA 85 HB1 ALA 85 89.302 -10.389 -0.607 705 2HB ALA 85 HB2 ALA 85 88.219 -9.368 0.336 706 3HB ALA 85 HB3 ALA 85 89.874 -9.632 0.880 707 H GLN 86 HN GLN 86 89.801 -9.042 -3.211 708 HA GLN 86 HA GLN 86 92.603 -9.897 -3.156 709 1HB GLN 86 HB2 GLN 86 90.718 -11.004 -4.485 710 2HB GLN 86 HB1 GLN 86 90.842 -9.641 -5.584 711 1HG GLN 86 HG2 GLN 86 93.337 -10.169 -5.717 712 2HG GLN 86 HG1 GLN 86 92.944 -11.693 -4.936 713 1HE2 GLN 86 HE21 GLN 86 93.995 -11.751 -7.533 714 2HE2 GLN 86 HE22 GLN 86 92.784 -12.225 -8.618 715 H LEU 87 HN LEU 87 90.692 -7.274 -4.516 716 HA LEU 87 HA LEU 87 92.872 -6.080 -5.969 717 1HB LEU 87 HB2 LEU 87 90.548 -5.539 -6.536 718 2HB LEU 87 HB1 LEU 87 90.281 -4.900 -4.915 719 HG LEU 87 HG LEU 87 91.905 -3.121 -5.303 720 1HD1 LEU 87 HD11 LEU 87 92.684 -2.937 -7.826 721 2HD1 LEU 87 HD12 LEU 87 92.409 -4.677 -7.837 722 3HD1 LEU 87 HD13 LEU 87 93.571 -3.976 -6.712 723 1HD2 LEU 87 HD21 LEU 87 90.729 -2.037 -7.333 724 2HD2 LEU 87 HD22 LEU 87 89.721 -2.493 -5.961 725 3HD2 LEU 87 HD23 LEU 87 89.764 -3.512 -7.400 726 H ILE 88 HN ILE 88 91.403 -5.599 -2.810 727 HA ILE 88 HA ILE 88 93.149 -3.457 -1.993 728 HB ILE 88 HB ILE 88 91.354 -5.404 -0.528 729 1HG1 ILE 88 HG12 ILE 88 91.235 -2.389 -0.846 730 2HG1 ILE 88 HG11 ILE 88 90.392 -3.522 -1.900 731 1HG2 ILE 88 HG21 ILE 88 93.080 -4.968 1.078 732 2HG2 ILE 88 HG22 ILE 88 91.776 -3.857 1.483 733 3HG2 ILE 88 HG23 ILE 88 93.190 -3.273 0.607 734 1HD1 ILE 88 HD11 ILE 88 89.967 -3.078 1.059 735 2HD1 ILE 88 HD12 ILE 88 89.326 -4.484 0.210 736 3HD1 ILE 88 HD13 ILE 88 88.801 -2.863 -0.246 737 H ALA 89 HN ALA 89 93.101 -6.960 -1.329 738 HA ALA 89 HA ALA 89 95.491 -7.059 0.217 739 1HB ALA 89 HB1 ALA 89 95.593 -9.456 -0.510 740 2HB ALA 89 HB2 ALA 89 94.281 -9.129 -1.643 741 3HB ALA 89 HB3 ALA 89 94.003 -8.986 0.093 742 H GLY 90 HN GLY 90 94.965 -6.446 -3.110 743 1HA GLY 90 HA2 GLY 90 97.678 -7.264 -3.938 744 2HA GLY 90 HA1 GLY 90 96.436 -6.579 -4.983 745 H TYR 91 HN TYR 91 95.937 -4.276 -3.139 746 HA TYR 91 HA TYR 91 98.118 -2.597 -4.151 747 1HB TYR 91 HB2 TYR 91 95.591 -2.056 -2.589 748 2HB TYR 91 HB1 TYR 91 96.802 -0.799 -2.788 749 HD1 TYR 91 HD1 TYR 91 93.796 -1.810 -4.045 750 HD2 TYR 91 HD2 TYR 91 97.740 -0.831 -5.465 751 HE1 TYR 91 HE1 TYR 91 92.863 -1.226 -6.261 752 HE2 TYR 91 HE2 TYR 91 96.799 -0.276 -7.681 753 HH TYR 91 HH TYR 91 93.407 0.044 -8.211 754 H ILE 92 HN ILE 92 97.314 -4.211 -1.203 755 HA ILE 92 HA ILE 92 98.915 -2.528 0.528 756 HB ILE 92 HB ILE 92 97.855 -5.339 0.884 757 1HG1 ILE 92 HG12 ILE 92 96.892 -2.695 2.020 758 2HG1 ILE 92 HG11 ILE 92 96.198 -3.456 0.587 759 1HG2 ILE 92 HG21 ILE 92 99.253 -3.429 2.768 760 2HG2 ILE 92 HG22 ILE 92 99.687 -5.098 2.401 761 3HG2 ILE 92 HG23 ILE 92 98.242 -4.751 3.350 762 1HD1 ILE 92 HD11 ILE 92 96.364 -4.761 3.321 763 2HD1 ILE 92 HD12 ILE 92 95.581 -5.429 1.890 764 3HD1 ILE 92 HD13 ILE 92 94.920 -3.989 2.664 765 H ASP 93 HN ASP 93 99.576 -5.232 -1.555 766 HA ASP 93 HA ASP 93 102.150 -5.856 -0.285 767 1HB ASP 93 HB2 ASP 93 100.712 -6.836 -2.756 768 2HB ASP 93 HB1 ASP 93 102.366 -7.322 -2.390 769 H ILE 94 HN ILE 94 100.965 -3.711 -2.709 770 HA ILE 94 HA ILE 94 103.567 -3.413 -4.056 771 HB ILE 94 HB ILE 94 101.006 -1.823 -4.345 772 1HG1 ILE 94 HG12 ILE 94 102.116 -4.031 -6.103 773 2HG1 ILE 94 HG11 ILE 94 100.882 -4.299 -4.872 774 1HG2 ILE 94 HG21 ILE 94 102.820 -0.523 -5.200 775 2HG2 ILE 94 HG22 ILE 94 102.100 -1.307 -6.605 776 3HG2 ILE 94 HG23 ILE 94 103.593 -1.940 -5.910 777 1HD1 ILE 94 HD11 ILE 94 100.686 -2.572 -7.347 778 2HD1 ILE 94 HD12 ILE 94 99.523 -2.472 -6.026 779 3HD1 ILE 94 HD13 ILE 94 99.705 -3.975 -6.928 780 H ILE 95 HN ILE 95 101.811 -1.903 -1.467 781 HA ILE 95 HA ILE 95 103.412 0.566 -1.554 782 HB ILE 95 HB ILE 95 102.244 1.053 0.611 783 1HG1 ILE 95 HG12 ILE 95 100.973 -1.640 0.030 784 2HG1 ILE 95 HG11 ILE 95 101.960 -1.222 1.430 785 1HG2 ILE 95 HG21 ILE 95 100.132 1.506 -0.412 786 2HG2 ILE 95 HG22 ILE 95 100.304 0.150 -1.526 787 3HG2 ILE 95 HG23 ILE 95 101.320 1.578 -1.712 788 1HD1 ILE 95 HD11 ILE 95 100.227 0.594 1.930 789 2HD1 ILE 95 HD12 ILE 95 99.703 -1.070 2.182 790 3HD1 ILE 95 HD13 ILE 95 99.203 -0.198 0.733 791 H LEU 96 HN LEU 96 103.383 -2.482 0.139 792 HA LEU 96 HA LEU 96 105.364 -1.689 2.122 793 1HB LEU 96 HB2 LEU 96 104.009 -4.233 1.286 794 2HB LEU 96 HB1 LEU 96 105.429 -4.335 2.326 795 HG LEU 96 HG LEU 96 103.165 -2.457 3.031 796 1HD1 LEU 96 HD11 LEU 96 103.332 -5.384 3.792 797 2HD1 LEU 96 HD12 LEU 96 102.168 -4.702 2.658 798 3HD1 LEU 96 HD13 LEU 96 102.124 -4.231 4.357 799 1HD2 LEU 96 HD21 LEU 96 105.165 -2.205 4.367 800 2HD2 LEU 96 HD22 LEU 96 105.300 -3.946 4.598 801 3HD2 LEU 96 HD23 LEU 96 103.983 -3.055 5.354 802 H LYS 97 HN LYS 97 105.454 -2.865 -1.122 803 HA LYS 97 HA LYS 97 108.170 -3.929 -0.968 804 1HB LYS 97 HB2 LYS 97 106.435 -4.740 -2.590 805 2HB LYS 97 HB1 LYS 97 106.554 -3.185 -3.405 806 1HG LYS 97 HG2 LYS 97 109.210 -3.893 -3.319 807 2HG LYS 97 HG1 LYS 97 108.457 -5.479 -3.425 808 1HD LYS 97 HD2 LYS 97 107.243 -4.805 -5.440 809 2HD LYS 97 HD1 LYS 97 107.910 -3.178 -5.309 810 1HE LYS 97 HE2 LYS 97 110.221 -4.276 -5.402 811 2HE LYS 97 HE1 LYS 97 109.387 -5.746 -5.905 812 1HZ LYS 97 HZ1 LYS 97 108.365 -4.425 -7.712 813 2HZ LYS 97 HZ2 LYS 97 110.055 -4.552 -7.840 814 3HZ LYS 97 HZ3 LYS 97 109.348 -3.114 -7.274 815 H LYS 98 HN LYS 98 106.719 -1.085 -2.594 816 HA LYS 98 HA LYS 98 108.989 0.094 -3.637 817 1HB LYS 98 HB2 LYS 98 106.726 1.511 -2.206 818 2HB LYS 98 HB1 LYS 98 107.851 2.269 -3.329 819 1HG LYS 98 HG2 LYS 98 106.138 -0.106 -4.092 820 2HG LYS 98 HG1 LYS 98 105.597 1.556 -4.311 821 1HD LYS 98 HD2 LYS 98 107.836 1.888 -5.597 822 2HD LYS 98 HD1 LYS 98 107.890 0.127 -5.658 823 1HE LYS 98 HE2 LYS 98 106.819 1.017 -7.679 824 2HE LYS 98 HE1 LYS 98 105.656 0.102 -6.719 825 1HZ LYS 98 HZ1 LYS 98 105.024 2.427 -7.610 826 2HZ LYS 98 HZ2 LYS 98 105.942 2.999 -6.300 827 3HZ LYS 98 HZ3 LYS 98 104.594 2.000 -6.026 828 H LYS 99 HN LYS 99 107.887 0.333 -0.253 829 HA LYS 99 HA LYS 99 110.113 2.039 0.483 830 1HB LYS 99 HB2 LYS 99 109.376 1.531 2.824 831 2HB LYS 99 HB1 LYS 99 108.101 2.180 1.798 832 1HG LYS 99 HG2 LYS 99 107.124 0.014 1.477 833 2HG LYS 99 HG1 LYS 99 108.523 -0.792 2.177 834 1HD LYS 99 HD2 LYS 99 107.002 -0.844 3.955 835 2HD LYS 99 HD1 LYS 99 107.931 0.600 4.331 836 1HE LYS 99 HE2 LYS 99 106.121 1.863 2.953 837 2HE LYS 99 HE1 LYS 99 105.161 0.400 3.156 838 1HZ LYS 99 HZ1 LYS 99 104.630 1.103 5.170 839 2HZ LYS 99 HZ2 LYS 99 105.629 2.467 5.006 840 3HZ LYS 99 HZ3 LYS 99 106.259 1.019 5.633 841 H LYS 100 HN LYS 100 109.937 -1.200 -0.292 842 HA LYS 100 HA LYS 100 112.614 -1.679 0.820 843 1HB LYS 100 HB2 LYS 100 110.967 -2.320 2.648 844 2HB LYS 100 HB1 LYS 100 110.372 -3.576 1.561 845 1HG LYS 100 HG2 LYS 100 112.766 -4.400 1.373 846 2HG LYS 100 HG1 LYS 100 113.169 -3.290 2.684 847 1HD LYS 100 HD2 LYS 100 111.570 -4.394 4.162 848 2HD LYS 100 HD1 LYS 100 111.054 -5.455 2.851 849 1HE LYS 100 HE2 LYS 100 113.470 -6.237 2.692 850 2HE LYS 100 HE1 LYS 100 113.758 -5.377 4.205 851 1HZ LYS 100 HZ1 LYS 100 111.875 -6.687 5.150 852 2HZ LYS 100 HZ2 LYS 100 113.245 -7.607 4.747 853 3HZ LYS 100 HZ3 LYS 100 111.880 -7.622 3.735 854 1H SER 1 HT1 SER 1 90.209 -17.906 8.869 855 2H SER 1 HT2 SER 1 89.186 -19.253 8.708 856 3H SER 1 HT3 SER 1 89.863 -18.872 10.219 857 HA SER 1 HA SER 1 87.413 -18.054 9.209 858 1HB SER 1 HB2 SER 1 87.421 -16.746 11.399 859 2HB SER 1 HB1 SER 1 87.752 -18.470 11.541 860 HG SER 1 HG SER 1 89.514 -17.831 12.491 861 H TRP 2 HN TRP 2 89.169 -15.535 10.820 862 HA TRP 2 HA TRP 2 88.363 -13.580 8.835 863 1HB TRP 2 HB2 TRP 2 89.947 -13.553 11.390 864 2HB TRP 2 HB1 TRP 2 90.105 -12.170 10.315 865 HD1 TRP 2 HD1 TRP 2 87.599 -13.978 12.530 866 HE1 TRP 2 HE1 TRP 2 85.567 -12.433 12.913 867 HE3 TRP 2 HE3 TRP 2 88.727 -10.230 9.262 868 HZ2 TRP 2 HZ2 TRP 2 84.563 -9.925 11.953 869 HZ3 TRP 2 HZ3 TRP 2 87.226 -8.275 9.015 870 HH2 TRP 2 HH2 TRP 2 85.152 -8.118 10.355 871 H VAL 3 HN VAL 3 90.464 -11.937 8.442 872 HA VAL 3 HA VAL 3 92.788 -13.437 7.461 873 HB VAL 3 HB VAL 3 91.416 -13.630 5.507 874 1HG1 VAL 3 HG11 VAL 3 90.251 -11.678 4.539 875 2HG1 VAL 3 HG12 VAL 3 90.820 -10.690 5.885 876 3HG1 VAL 3 HG13 VAL 3 89.695 -12.020 6.179 877 1HG2 VAL 3 HG21 VAL 3 92.758 -12.540 3.910 878 2HG2 VAL 3 HG22 VAL 3 93.813 -12.587 5.325 879 3HG2 VAL 3 HG23 VAL 3 92.955 -11.100 4.911 880 1HN PTR 4 HN PTR 4 94.599 -12.146 7.568 881 HA PTR 4 HA PTR 4 94.169 -9.301 8.425 882 1HB PTR 4 HB1 PTR 4 96.560 -9.622 9.334 883 2HB PTR 4 HB2 PTR 4 96.313 -11.341 9.038 884 HD1 PTR 4 HD1 PTR 4 93.854 -12.197 9.907 885 HD2 PTR 4 HD2 PTR 4 96.080 -8.874 11.493 886 HE1 PTR 4 HE1 PTR 4 92.631 -12.395 12.049 887 HE2 PTR 4 HE2 PTR 4 94.848 -9.075 13.632 888 H SER 5 HN SER 5 96.706 -8.339 8.054 889 HA SER 5 HA SER 5 97.284 -8.684 5.142 890 1HB SER 5 HB2 SER 5 97.282 -6.331 4.798 891 2HB SER 5 HB1 SER 5 95.856 -6.619 5.786 892 HG SER 5 HG SER 5 96.744 -5.301 7.145 893 HA PRO 6 HA PRO 6 101.464 -9.045 6.585 894 1HB PRO 6 HB2 PRO 6 102.718 -7.503 4.509 895 2HB PRO 6 HB1 PRO 6 102.548 -9.260 4.582 896 1HG PRO 6 HG2 PRO 6 101.067 -7.353 2.910 897 2HG PRO 6 HG1 PRO 6 101.099 -9.121 2.808 898 1HD PRO 6 HD2 PRO 6 98.941 -7.539 3.763 899 2HD PRO 6 HD1 PRO 6 99.104 -9.299 3.922 900 H LEU 7 HN LEU 7 99.993 -5.959 5.967 901 HA LEU 7 HA LEU 7 101.928 -4.122 6.766 902 1HB LEU 7 HB2 LEU 7 98.988 -4.164 7.507 903 2HB LEU 7 HB1 LEU 7 100.035 -2.760 7.670 904 HG LEU 7 HG LEU 7 99.855 -4.133 4.993 905 1HD1 LEU 7 HD11 LEU 7 97.533 -3.862 5.427 906 2HD1 LEU 7 HD12 LEU 7 97.983 -2.448 4.477 907 3HD1 LEU 7 HD13 LEU 7 97.781 -2.309 6.223 908 1HD2 LEU 7 HD21 LEU 7 99.979 -1.167 5.585 909 2HD2 LEU 7 HD22 LEU 7 100.533 -2.032 4.150 910 3HD2 LEU 7 HD23 LEU 7 101.434 -2.162 5.656 911 H HIS 8 HN HIS 8 103.322 -4.828 8.409 912 HA HIS 8 HA HIS 8 102.458 -6.094 10.826 913 1HB HIS 8 HB2 HIS 8 104.938 -4.389 10.482 914 2HB HIS 8 HB1 HIS 8 104.693 -5.708 11.625 915 HD1 HIS 8 HD1 HIS 8 104.066 -8.109 10.332 916 HD2 HIS 8 HD2 HIS 8 106.193 -5.243 8.179 917 HE1 HIS 8 HE1 HIS 8 105.153 -9.328 8.397 Start of MODEL 11 1 1H LEU 1 HT1 LEU 1 87.497 14.243 -13.349 2 2H LEU 1 HT2 LEU 1 86.306 13.548 -12.356 3 3H LEU 1 HT3 LEU 1 87.720 12.682 -12.724 4 HA LEU 1 HA LEU 1 89.057 14.022 -11.392 5 1HB LEU 1 HB2 LEU 1 88.131 16.100 -10.339 6 2HB LEU 1 HB1 LEU 1 88.241 16.197 -12.090 7 HG LEU 1 HG LEU 1 85.654 15.184 -10.934 8 1HD1 LEU 1 HD11 LEU 1 85.997 17.075 -9.488 9 2HD1 LEU 1 HD12 LEU 1 84.868 17.581 -10.744 10 3HD1 LEU 1 HD13 LEU 1 86.559 18.072 -10.830 11 1HD2 LEU 1 HD21 LEU 1 85.901 15.327 -13.365 12 2HD2 LEU 1 HD22 LEU 1 86.395 17.014 -13.246 13 3HD2 LEU 1 HD23 LEU 1 84.748 16.545 -12.831 14 H LYS 2 HN LYS 2 89.179 13.718 -9.108 15 HA LYS 2 HA LYS 2 88.652 12.471 -7.193 16 1HB LYS 2 HB2 LYS 2 86.223 14.165 -7.748 17 2HB LYS 2 HB1 LYS 2 86.240 13.061 -6.372 18 1HG LYS 2 HG2 LYS 2 87.020 15.373 -5.802 19 2HG LYS 2 HG1 LYS 2 88.216 14.128 -5.465 20 1HD LYS 2 HD2 LYS 2 89.503 14.689 -7.371 21 2HD LYS 2 HD1 LYS 2 88.190 15.626 -8.078 22 1HE LYS 2 HE2 LYS 2 88.423 17.360 -6.435 23 2HE LYS 2 HE1 LYS 2 89.519 16.375 -5.466 24 1HZ LYS 2 HZ1 LYS 2 91.248 16.916 -6.742 25 2HZ LYS 2 HZ2 LYS 2 90.278 18.186 -7.321 26 3HZ LYS 2 HZ3 LYS 2 90.380 16.727 -8.187 27 H THR 3 HN THR 3 87.817 11.456 -10.026 28 HA THR 3 HA THR 3 86.739 8.932 -9.094 29 HB THR 3 HB THR 3 84.908 10.518 -10.905 30 HG1 THR 3 HG1 THR 3 84.463 11.573 -9.145 31 1HG2 THR 3 HG21 THR 3 83.298 8.778 -10.280 32 2HG2 THR 3 HG22 THR 3 84.499 8.032 -9.225 33 3HG2 THR 3 HG23 THR 3 84.750 8.054 -10.970 34 H TYR 4 HN TYR 4 88.993 9.105 -10.392 35 HA TYR 4 HA TYR 4 88.389 8.030 -13.087 36 1HB TYR 4 HB2 TYR 4 88.866 10.576 -13.172 37 2HB TYR 4 HB1 TYR 4 90.526 10.143 -12.788 38 HD1 TYR 4 HD1 TYR 4 91.646 8.339 -14.262 39 HD2 TYR 4 HD2 TYR 4 88.107 10.473 -15.393 40 HE1 TYR 4 HE1 TYR 4 92.061 7.756 -16.637 41 HE2 TYR 4 HE2 TYR 4 88.514 9.897 -17.773 42 HH TYR 4 HH TYR 4 89.788 7.967 -19.002 43 H GLY 5 HN GLY 5 89.673 6.286 -13.478 44 1HA GLY 5 HA2 GLY 5 91.555 4.863 -13.368 45 2HA GLY 5 HA1 GLY 5 92.399 6.115 -12.456 46 H VAL 6 HN VAL 6 89.666 5.963 -10.807 47 HA VAL 6 HA VAL 6 90.770 4.026 -8.839 48 HB VAL 6 HB VAL 6 88.411 5.904 -8.528 49 1HG1 VAL 6 HG11 VAL 6 88.933 5.619 -6.123 50 2HG1 VAL 6 HG12 VAL 6 90.222 4.493 -6.544 51 3HG1 VAL 6 HG13 VAL 6 88.542 4.080 -6.887 52 1HG2 VAL 6 HG21 VAL 6 90.466 7.156 -9.119 53 2HG2 VAL 6 HG22 VAL 6 91.331 6.339 -7.817 54 3HG2 VAL 6 HG23 VAL 6 90.005 7.440 -7.441 55 H SER 7 HN SER 7 89.667 2.154 -8.260 56 HA SER 7 HA SER 7 87.495 1.310 -10.069 57 1HB SER 7 HB2 SER 7 88.678 -0.274 -7.793 58 2HB SER 7 HB1 SER 7 87.856 -0.876 -9.226 59 HG SER 7 HG SER 7 90.422 -0.513 -8.913 60 H PHE 8 HN PHE 8 85.569 2.160 -9.480 61 HA PHE 8 HA PHE 8 84.779 2.411 -6.645 62 1HB PHE 8 HB2 PHE 8 82.565 3.155 -7.886 63 2HB PHE 8 HB1 PHE 8 83.964 4.223 -7.873 64 HD1 PHE 8 HD1 PHE 8 81.775 2.159 -9.919 65 HD2 PHE 8 HD2 PHE 8 85.498 4.300 -9.851 66 HE1 PHE 8 HE1 PHE 8 81.854 2.101 -12.398 67 HE2 PHE 8 HE2 PHE 8 85.577 4.241 -12.329 68 HZ PHE 8 HZ PHE 8 83.755 3.142 -13.602 69 H PHE 9 HN PHE 9 83.851 0.726 -5.601 70 HA PHE 9 HA PHE 9 82.568 -1.460 -7.195 71 1HB PHE 9 HB2 PHE 9 83.797 -1.301 -4.440 72 2HB PHE 9 HB1 PHE 9 82.653 -2.586 -4.821 73 HD1 PHE 9 HD1 PHE 9 85.820 -0.990 -6.013 74 HD2 PHE 9 HD2 PHE 9 83.358 -4.511 -5.990 75 HE1 PHE 9 HE1 PHE 9 87.629 -2.265 -7.134 76 HE2 PHE 9 HE2 PHE 9 85.168 -5.785 -7.111 77 HZ PHE 9 HZ PHE 9 87.303 -4.660 -7.682 78 H LEU 10 HN LEU 10 80.360 -1.592 -7.160 79 HA LEU 10 HA LEU 10 78.846 0.319 -5.550 80 1HB LEU 10 HB2 LEU 10 78.066 -0.223 -7.797 81 2HB LEU 10 HB1 LEU 10 77.928 -1.923 -7.373 82 HG LEU 10 HG LEU 10 76.424 -0.272 -5.452 83 1HD1 LEU 10 HD11 LEU 10 75.468 -0.117 -8.321 84 2HD1 LEU 10 HD12 LEU 10 76.266 1.216 -7.488 85 3HD1 LEU 10 HD13 LEU 10 74.718 0.609 -6.899 86 1HD2 LEU 10 HD21 LEU 10 76.199 -2.774 -6.038 87 2HD2 LEU 10 HD22 LEU 10 75.309 -2.242 -7.463 88 3HD2 LEU 10 HD23 LEU 10 74.703 -1.860 -5.851 89 H VAL 11 HN VAL 11 78.821 -0.099 -3.436 90 HA VAL 11 HA VAL 11 78.069 -2.856 -2.519 91 HB VAL 11 HB VAL 11 79.123 -2.310 -0.412 92 1HG1 VAL 11 HG11 VAL 11 81.041 -1.245 -2.492 93 2HG1 VAL 11 HG12 VAL 11 80.542 -2.935 -2.495 94 3HG1 VAL 11 HG13 VAL 11 81.390 -2.269 -1.100 95 1HG2 VAL 11 HG21 VAL 11 79.303 0.458 -1.610 96 2HG2 VAL 11 HG22 VAL 11 80.354 -0.031 -0.282 97 3HG2 VAL 11 HG23 VAL 11 78.604 -0.024 -0.064 98 H LYS 12 HN LYS 12 76.398 -2.905 -0.844 99 HA LYS 12 HA LYS 12 74.618 -0.496 -0.986 100 1HB LYS 12 HB2 LYS 12 74.159 -3.372 -1.197 101 2HB LYS 12 HB1 LYS 12 73.146 -2.673 0.061 102 1HG LYS 12 HG2 LYS 12 72.191 -1.085 -1.485 103 2HG LYS 12 HG1 LYS 12 73.350 -1.535 -2.746 104 1HD LYS 12 HD2 LYS 12 72.403 -3.864 -2.678 105 2HD LYS 12 HD1 LYS 12 71.167 -3.274 -1.567 106 1HE LYS 12 HE2 LYS 12 70.237 -3.228 -3.801 107 2HE LYS 12 HE1 LYS 12 70.528 -1.563 -3.298 108 1HZ LYS 12 HZ1 LYS 12 72.876 -2.444 -4.456 109 2HZ LYS 12 HZ2 LYS 12 71.766 -1.331 -5.101 110 3HZ LYS 12 HZ3 LYS 12 71.637 -2.982 -5.481 111 H GLU 13 HN GLU 13 73.999 0.517 0.830 112 HA GLU 13 HA GLU 13 75.196 -0.424 3.410 113 1HB GLU 13 HB2 GLU 13 74.273 2.294 2.443 114 2HB GLU 13 HB1 GLU 13 74.646 1.968 4.131 115 1HG GLU 13 HG2 GLU 13 76.918 1.128 3.331 116 2HG GLU 13 HG1 GLU 13 76.518 1.823 1.761 117 H LYS 14 HN LYS 14 73.783 -0.133 5.328 118 HA LYS 14 HA LYS 14 70.892 -0.568 4.649 119 1HB LYS 14 HB2 LYS 14 71.184 -1.641 7.174 120 2HB LYS 14 HB1 LYS 14 71.306 -2.575 5.685 121 1HG LYS 14 HG2 LYS 14 73.714 -1.167 6.838 122 2HG LYS 14 HG1 LYS 14 73.241 -2.769 7.398 123 1HD LYS 14 HD2 LYS 14 73.314 -2.504 4.426 124 2HD LYS 14 HD1 LYS 14 74.882 -2.300 5.212 125 1HE LYS 14 HE2 LYS 14 73.015 -4.667 5.557 126 2HE LYS 14 HE1 LYS 14 74.530 -4.654 4.655 127 1HZ LYS 14 HZ1 LYS 14 75.248 -5.443 6.649 128 2HZ LYS 14 HZ2 LYS 14 74.085 -4.591 7.548 129 3HZ LYS 14 HZ3 LYS 14 75.445 -3.782 6.930 130 H MET 15 HN MET 15 69.860 1.305 5.044 131 HA MET 15 HA MET 15 70.758 3.225 6.990 132 1HB MET 15 HB2 MET 15 68.158 2.962 5.477 133 2HB MET 15 HB1 MET 15 68.499 4.286 6.592 134 1HG MET 15 HG2 MET 15 70.394 3.608 4.346 135 2HG MET 15 HG1 MET 15 69.016 4.683 4.099 136 1HE MET 15 HE1 MET 15 68.458 6.548 5.979 137 2HE MET 15 HE2 MET 15 69.095 7.097 4.431 138 3HE MET 15 HE3 MET 15 69.683 7.824 5.924 139 H LYS 16 HN LYS 16 69.726 3.814 8.904 140 HA LYS 16 HA LYS 16 69.015 1.699 10.645 141 1HB LYS 16 HB2 LYS 16 68.013 4.096 11.797 142 2HB LYS 16 HB1 LYS 16 69.568 3.347 12.103 143 1HG LYS 16 HG2 LYS 16 69.902 5.654 11.420 144 2HG LYS 16 HG1 LYS 16 70.530 4.575 10.186 145 1HD LYS 16 HD2 LYS 16 69.312 5.945 8.769 146 2HD LYS 16 HD1 LYS 16 67.974 4.905 9.238 147 1HE LYS 16 HE2 LYS 16 68.717 7.528 10.565 148 2HE LYS 16 HE1 LYS 16 67.355 7.268 9.476 149 1HZ LYS 16 HZ1 LYS 16 66.630 5.499 11.098 150 2HZ LYS 16 HZ2 LYS 16 66.489 7.106 11.632 151 3HZ LYS 16 HZ3 LYS 16 67.773 6.135 12.178 152 H GLY 17 HN GLY 17 66.783 4.386 10.518 153 1HA GLY 17 HA2 GLY 17 64.457 3.104 11.125 154 2HA GLY 17 HA1 GLY 17 64.481 4.485 10.035 155 H LYS 18 HN LYS 18 65.956 3.114 7.915 156 HA LYS 18 HA LYS 18 63.662 1.501 6.872 157 1HB LYS 18 HB2 LYS 18 65.835 1.911 4.930 158 2HB LYS 18 HB1 LYS 18 64.138 2.371 4.826 159 1HG LYS 18 HG2 LYS 18 66.217 3.914 6.368 160 2HG LYS 18 HG1 LYS 18 65.703 4.312 4.742 161 1HD LYS 18 HD2 LYS 18 63.588 4.010 6.864 162 2HD LYS 18 HD1 LYS 18 64.558 5.473 6.852 163 1HE LYS 18 HE2 LYS 18 63.875 6.014 4.612 164 2HE LYS 18 HE1 LYS 18 63.123 4.434 4.398 165 1HZ LYS 18 HZ1 LYS 18 61.300 5.622 4.965 166 2HZ LYS 18 HZ2 LYS 18 62.171 6.766 5.871 167 3HZ LYS 18 HZ3 LYS 18 61.821 5.241 6.533 168 H ASN 19 HN ASN 19 63.775 -0.660 6.858 169 HA ASN 19 HA ASN 19 66.267 -2.039 7.519 170 1HB ASN 19 HB2 ASN 19 63.865 -2.817 8.071 171 2HB ASN 19 HB1 ASN 19 63.768 -3.301 6.382 172 1HD2 ASN 19 HD21 ASN 19 63.773 -5.116 8.737 173 2HD2 ASN 19 HD22 ASN 19 65.128 -6.122 8.554 174 H LYS 20 HN LYS 20 65.139 -0.439 4.978 175 HA LYS 20 HA LYS 20 65.657 -2.146 2.737 176 1HB LYS 20 HB2 LYS 20 64.530 0.328 3.094 177 2HB LYS 20 HB1 LYS 20 66.064 0.771 2.368 178 1HG LYS 20 HG2 LYS 20 64.698 0.454 0.493 179 2HG LYS 20 HG1 LYS 20 65.511 -1.097 0.637 180 1HD LYS 20 HD2 LYS 20 63.303 -1.809 0.412 181 2HD LYS 20 HD1 LYS 20 63.430 -1.710 2.167 182 1HE LYS 20 HE2 LYS 20 62.410 0.520 2.142 183 2HE LYS 20 HE1 LYS 20 62.356 0.497 0.380 184 1HZ LYS 20 HZ1 LYS 20 60.969 -1.543 0.576 185 2HZ LYS 20 HZ2 LYS 20 60.230 -0.136 1.175 186 3HZ LYS 20 HZ3 LYS 20 60.888 -1.277 2.249 187 H LEU 21 HN LEU 21 67.371 -0.976 1.101 188 HA LEU 21 HA LEU 21 70.000 -0.913 2.532 189 1HB LEU 21 HB2 LEU 21 69.647 -1.976 -0.276 190 2HB LEU 21 HB1 LEU 21 71.025 -2.163 0.800 191 HG LEU 21 HG LEU 21 68.286 -3.332 1.373 192 1HD1 LEU 21 HD11 LEU 21 70.765 -4.679 0.268 193 2HD1 LEU 21 HD12 LEU 21 69.296 -4.341 -0.649 194 3HD1 LEU 21 HD13 LEU 21 69.255 -5.482 0.695 195 1HD2 LEU 21 HD21 LEU 21 69.550 -3.048 3.396 196 2HD2 LEU 21 HD22 LEU 21 71.029 -3.621 2.627 197 3HD2 LEU 21 HD23 LEU 21 69.708 -4.744 2.946 198 H VAL 22 HN VAL 22 71.651 0.385 1.417 199 HA VAL 22 HA VAL 22 70.477 2.444 -0.430 200 HB VAL 22 HB VAL 22 72.019 2.752 2.120 201 1HG1 VAL 22 HG11 VAL 22 73.550 3.885 0.683 202 2HG1 VAL 22 HG12 VAL 22 72.529 5.152 1.363 203 3HG1 VAL 22 HG13 VAL 22 72.247 4.580 -0.281 204 1HG2 VAL 22 HG21 VAL 22 69.761 4.270 0.776 205 2HG2 VAL 22 HG22 VAL 22 70.490 4.734 2.309 206 3HG2 VAL 22 HG23 VAL 22 69.637 3.196 2.171 207 HA PRO 23 HA PRO 23 74.003 0.787 -2.819 208 1HB PRO 23 HB2 PRO 23 73.449 3.047 -4.643 209 2HB PRO 23 HB1 PRO 23 73.470 1.331 -5.000 210 1HG PRO 23 HG2 PRO 23 71.164 2.868 -4.829 211 2HG PRO 23 HG1 PRO 23 71.205 1.112 -4.600 212 1HD PRO 23 HD2 PRO 23 70.844 3.238 -2.570 213 2HD PRO 23 HD1 PRO 23 70.454 1.504 -2.470 214 H ARG 24 HN ARG 24 76.147 1.478 -3.055 215 HA ARG 24 HA ARG 24 76.895 4.291 -2.562 216 1HB ARG 24 HB2 ARG 24 76.636 3.234 -0.279 217 2HB ARG 24 HB1 ARG 24 77.882 2.082 -0.730 218 1HG ARG 24 HG2 ARG 24 79.179 3.686 0.346 219 2HG ARG 24 HG1 ARG 24 79.276 4.272 -1.313 220 1HD ARG 24 HD2 ARG 24 78.675 6.226 -0.200 221 2HD ARG 24 HD1 ARG 24 77.076 5.600 -0.614 222 HE ARG 24 HE ARG 24 77.590 4.483 1.861 223 1HH1 ARG 24 HH21 ARG 24 77.634 7.643 0.485 224 2HH1 ARG 24 HH22 ARG 24 77.220 8.440 1.966 225 1HH2 ARG 24 HH11 ARG 24 77.052 5.506 3.807 226 2HH2 ARG 24 HH12 ARG 24 76.890 7.230 3.847 227 H LEU 25 HN LEU 25 78.915 4.714 -3.529 228 HA LEU 25 HA LEU 25 80.148 2.421 -4.997 229 1HB LEU 25 HB2 LEU 25 80.374 5.418 -5.325 230 2HB LEU 25 HB1 LEU 25 81.273 4.262 -6.295 231 HG LEU 25 HG LEU 25 78.251 4.271 -6.073 232 1HD1 LEU 25 HD11 LEU 25 79.135 6.413 -7.034 233 2HD1 LEU 25 HD12 LEU 25 78.183 5.475 -8.183 234 3HD1 LEU 25 HD13 LEU 25 79.943 5.470 -8.286 235 1HD2 LEU 25 HD21 LEU 25 78.649 3.101 -8.399 236 2HD2 LEU 25 HD22 LEU 25 78.861 2.178 -6.920 237 3HD2 LEU 25 HD23 LEU 25 80.268 2.804 -7.769 238 H LEU 26 HN LEU 26 82.297 1.863 -4.587 239 HA LEU 26 HA LEU 26 83.717 3.382 -2.425 240 1HB LEU 26 HB2 LEU 26 82.646 1.198 -1.694 241 2HB LEU 26 HB1 LEU 26 83.741 0.380 -2.800 242 HG LEU 26 HG LEU 26 85.657 1.542 -1.578 243 1HD1 LEU 26 HD11 LEU 26 83.337 2.301 0.197 244 2HD1 LEU 26 HD12 LEU 26 84.691 3.290 -0.339 245 3HD1 LEU 26 HD13 LEU 26 84.939 2.058 0.890 246 1HD2 LEU 26 HD21 LEU 26 83.931 -0.346 0.054 247 2HD2 LEU 26 HD22 LEU 26 85.674 -0.130 0.202 248 3HD2 LEU 26 HD23 LEU 26 84.996 -0.848 -1.258 249 H GLY 27 HN GLY 27 85.373 4.315 -3.462 250 1HA GLY 27 HA2 GLY 27 86.738 3.123 -5.734 251 2HA GLY 27 HA1 GLY 27 87.140 4.647 -4.974 252 H ILE 28 HN ILE 28 88.417 1.734 -5.598 253 HA ILE 28 HA ILE 28 89.872 1.501 -2.990 254 HB ILE 28 HB ILE 28 89.987 -0.423 -5.334 255 1HG1 ILE 28 HG12 ILE 28 87.666 -0.363 -4.707 256 2HG1 ILE 28 HG11 ILE 28 88.358 -1.800 -3.960 257 1HG2 ILE 28 HG21 ILE 28 91.783 -0.779 -3.812 258 2HG2 ILE 28 HG22 ILE 28 90.574 -1.999 -3.414 259 3HG2 ILE 28 HG23 ILE 28 90.740 -0.562 -2.409 260 1HD1 ILE 28 HD11 ILE 28 88.765 -0.250 -1.906 261 2HD1 ILE 28 HD12 ILE 28 87.133 -0.842 -2.209 262 3HD1 ILE 28 HD13 ILE 28 87.575 0.799 -2.673 263 H THR 29 HN THR 29 91.688 2.751 -3.009 264 HA THR 29 HA THR 29 93.277 2.922 -5.550 265 HB THR 29 HB THR 29 93.698 4.797 -3.229 266 HG1 THR 29 HG1 THR 29 92.042 6.048 -4.645 267 1HG2 THR 29 HG21 THR 29 94.188 6.365 -5.081 268 2HG2 THR 29 HG22 THR 29 93.780 5.104 -6.245 269 3HG2 THR 29 HG23 THR 29 95.179 4.909 -5.188 270 H LYS 30 HN LYS 30 95.673 2.999 -5.166 271 HA LYS 30 HA LYS 30 96.460 0.804 -3.449 272 1HB LYS 30 HB2 LYS 30 98.763 1.373 -4.223 273 2HB LYS 30 HB1 LYS 30 97.623 1.202 -5.559 274 1HG LYS 30 HG2 LYS 30 97.296 3.665 -5.563 275 2HG LYS 30 HG1 LYS 30 98.492 3.808 -4.283 276 1HD LYS 30 HD2 LYS 30 99.723 4.240 -6.250 277 2HD LYS 30 HD1 LYS 30 100.095 2.560 -5.870 278 1HE LYS 30 HE2 LYS 30 98.643 1.742 -7.569 279 2HE LYS 30 HE1 LYS 30 97.844 3.303 -7.754 280 1HZ LYS 30 HZ1 LYS 30 100.473 3.844 -8.202 281 2HZ LYS 30 HZ2 LYS 30 99.278 3.654 -9.394 282 3HZ LYS 30 HZ3 LYS 30 100.256 2.338 -8.950 283 H GLU 31 HN GLU 31 96.311 4.249 -3.115 284 HA GLU 31 HA GLU 31 98.014 4.188 -0.675 285 1HB GLU 31 HB2 GLU 31 96.796 6.479 -2.235 286 2HB GLU 31 HB1 GLU 31 97.747 6.675 -0.769 287 1HG GLU 31 HG2 GLU 31 99.460 5.139 -2.217 288 2HG GLU 31 HG1 GLU 31 98.631 5.969 -3.523 289 H CYS 32 HN CYS 32 94.655 4.238 -1.590 290 HA CYS 32 HA CYS 32 93.845 4.063 1.176 291 1HB CYS 32 HB2 CYS 32 92.460 6.355 0.869 292 2HB CYS 32 HB1 CYS 32 94.089 6.347 1.525 293 HG CYS 32 HG CYS 32 95.017 7.127 -0.745 294 H VAL 33 HN VAL 33 91.443 4.097 1.404 295 HA VAL 33 HA VAL 33 90.118 3.074 -1.080 296 HB VAL 33 HB VAL 33 89.325 2.915 1.852 297 1HG1 VAL 33 HG11 VAL 33 87.312 3.002 0.560 298 2HG1 VAL 33 HG12 VAL 33 87.589 1.301 0.936 299 3HG1 VAL 33 HG13 VAL 33 87.979 1.926 -0.666 300 1HG2 VAL 33 HG21 VAL 33 91.261 1.480 1.013 301 2HG2 VAL 33 HG22 VAL 33 90.089 0.675 -0.031 302 3HG2 VAL 33 HG23 VAL 33 89.907 0.600 1.722 303 H MET 34 HN MET 34 88.477 4.364 -2.002 304 HA MET 34 HA MET 34 87.939 6.951 -0.607 305 1HB MET 34 HB2 MET 34 87.081 6.405 -3.422 306 2HB MET 34 HB1 MET 34 87.590 7.920 -2.681 307 1HG MET 34 HG2 MET 34 89.908 6.812 -2.433 308 2HG MET 34 HG1 MET 34 89.310 5.606 -3.572 309 1HE MET 34 HE1 MET 34 90.383 9.976 -4.275 310 2HE MET 34 HE2 MET 34 91.032 8.858 -3.080 311 3HE MET 34 HE3 MET 34 89.379 9.443 -2.919 312 H ARG 35 HN ARG 35 85.943 7.512 0.105 313 HA ARG 35 HA ARG 35 83.770 5.478 -0.230 314 1HB ARG 35 HB2 ARG 35 84.051 7.939 1.529 315 2HB ARG 35 HB1 ARG 35 82.565 7.004 1.409 316 1HG ARG 35 HG2 ARG 35 84.227 4.966 1.969 317 2HG ARG 35 HG1 ARG 35 85.187 6.264 2.679 318 1HD ARG 35 HD2 ARG 35 82.536 5.172 3.535 319 2HD ARG 35 HD1 ARG 35 83.878 5.755 4.520 320 HE ARG 35 HE ARG 35 82.912 8.039 3.265 321 1HH1 ARG 35 HH21 ARG 35 81.612 5.476 5.175 322 2HH1 ARG 35 HH22 ARG 35 80.371 6.456 5.881 323 1HH2 ARG 35 HH11 ARG 35 81.295 9.327 4.174 324 2HH2 ARG 35 HH12 ARG 35 80.191 8.634 5.314 325 H VAL 36 HN VAL 36 82.490 5.800 -1.981 326 HA VAL 36 HA VAL 36 81.943 8.621 -2.830 327 HB VAL 36 HB VAL 36 82.327 6.173 -4.564 328 1HG1 VAL 36 HG11 VAL 36 82.153 7.800 -6.439 329 2HG1 VAL 36 HG12 VAL 36 81.770 9.071 -5.281 330 3HG1 VAL 36 HG13 VAL 36 80.657 7.724 -5.510 331 1HG2 VAL 36 HG21 VAL 36 84.372 7.295 -3.473 332 2HG2 VAL 36 HG22 VAL 36 84.010 8.675 -4.509 333 3HG2 VAL 36 HG23 VAL 36 84.397 7.113 -5.227 334 H ASP 37 HN ASP 37 79.843 9.132 -2.825 335 HA ASP 37 HA ASP 37 77.826 7.178 -2.148 336 1HB ASP 37 HB2 ASP 37 77.796 9.701 -1.639 337 2HB ASP 37 HB1 ASP 37 77.300 9.918 -3.317 338 H GLU 38 HN GLU 38 76.188 6.354 -3.481 339 HA GLU 38 HA GLU 38 76.908 6.170 -6.344 340 1HB GLU 38 HB2 GLU 38 76.189 4.221 -4.792 341 2HB GLU 38 HB1 GLU 38 74.574 4.886 -4.945 342 1HG GLU 38 HG2 GLU 38 76.282 4.155 -7.328 343 2HG GLU 38 HG1 GLU 38 75.133 3.044 -6.580 344 H LYS 39 HN LYS 39 74.802 7.663 -4.173 345 HA LYS 39 HA LYS 39 72.720 8.434 -6.029 346 1HB LYS 39 HB2 LYS 39 72.424 8.165 -3.562 347 2HB LYS 39 HB1 LYS 39 73.456 9.568 -3.333 348 1HG LYS 39 HG2 LYS 39 71.863 10.899 -4.750 349 2HG LYS 39 HG1 LYS 39 70.786 9.502 -4.760 350 1HD LYS 39 HD2 LYS 39 70.648 9.567 -2.310 351 2HD LYS 39 HD1 LYS 39 71.768 10.928 -2.271 352 1HE LYS 39 HE2 LYS 39 70.074 12.126 -3.813 353 2HE LYS 39 HE1 LYS 39 68.943 10.860 -3.333 354 1HZ LYS 39 HZ1 LYS 39 69.303 11.453 -1.025 355 2HZ LYS 39 HZ2 LYS 39 68.772 12.805 -1.906 356 3HZ LYS 39 HZ3 LYS 39 70.409 12.656 -1.477 357 H THR 40 HN THR 40 75.397 10.096 -4.392 358 HA THR 40 HA THR 40 75.070 12.426 -6.206 359 HB THR 40 HB THR 40 77.109 12.236 -3.988 360 HG1 THR 40 HG1 THR 40 74.737 13.358 -3.292 361 1HG2 THR 40 HG21 THR 40 76.938 14.173 -5.647 362 2HG2 THR 40 HG22 THR 40 76.878 14.607 -3.939 363 3HG2 THR 40 HG23 THR 40 75.393 14.553 -4.889 364 H LYS 41 HN LYS 41 76.869 9.536 -6.099 365 HA LYS 41 HA LYS 41 78.851 8.886 -7.213 366 1HB LYS 41 HB2 LYS 41 77.815 11.108 -8.990 367 2HB LYS 41 HB1 LYS 41 79.156 10.054 -9.437 368 1HG LYS 41 HG2 LYS 41 77.792 8.149 -9.564 369 2HG LYS 41 HG1 LYS 41 76.538 8.856 -8.544 370 1HD LYS 41 HD2 LYS 41 75.911 8.746 -10.972 371 2HD LYS 41 HD1 LYS 41 75.873 10.376 -10.305 372 1HE LYS 41 HE2 LYS 41 78.392 9.378 -11.617 373 2HE LYS 41 HE1 LYS 41 77.057 9.950 -12.616 374 1HZ LYS 41 HZ1 LYS 41 77.891 11.965 -12.255 375 2HZ LYS 41 HZ2 LYS 41 78.879 11.439 -10.977 376 3HZ LYS 41 HZ3 LYS 41 77.254 11.844 -10.688 377 H GLU 42 HN GLU 42 78.914 11.177 -5.185 378 HA GLU 42 HA GLU 42 81.424 12.539 -6.107 379 1HB GLU 42 HB2 GLU 42 79.072 13.546 -4.913 380 2HB GLU 42 HB1 GLU 42 80.275 13.599 -3.634 381 1HG GLU 42 HG2 GLU 42 80.357 15.691 -4.843 382 2HG GLU 42 HG1 GLU 42 81.810 14.778 -5.231 383 H VAL 43 HN VAL 43 83.100 12.824 -4.402 384 HA VAL 43 HA VAL 43 83.519 10.325 -2.927 385 HB VAL 43 HB VAL 43 85.147 12.862 -3.223 386 1HG1 VAL 43 HG11 VAL 43 85.663 10.396 -1.546 387 2HG1 VAL 43 HG12 VAL 43 85.693 12.083 -1.032 388 3HG1 VAL 43 HG13 VAL 43 86.963 11.460 -2.084 389 1HG2 VAL 43 HG21 VAL 43 85.838 10.041 -4.059 390 2HG2 VAL 43 HG22 VAL 43 86.557 11.551 -4.614 391 3HG2 VAL 43 HG23 VAL 43 84.919 11.122 -5.108 392 H ILE 44 HN ILE 44 82.845 10.006 -0.870 393 HA ILE 44 HA ILE 44 81.948 12.354 0.712 394 HB ILE 44 HB ILE 44 81.569 9.420 1.329 395 1HG1 ILE 44 HG12 ILE 44 80.537 9.827 -0.824 396 2HG1 ILE 44 HG11 ILE 44 79.255 9.797 0.384 397 1HG2 ILE 44 HG21 ILE 44 80.247 11.971 2.285 398 2HG2 ILE 44 HG22 ILE 44 81.237 10.868 3.240 399 3HG2 ILE 44 HG23 ILE 44 79.653 10.354 2.661 400 1HD1 ILE 44 HD11 ILE 44 78.739 11.703 -0.895 401 2HD1 ILE 44 HD12 ILE 44 80.430 12.165 -1.060 402 3HD1 ILE 44 HD13 ILE 44 79.604 12.381 0.482 403 H GLN 45 HN GLN 45 84.315 9.733 0.750 404 HA GLN 45 HA GLN 45 85.937 11.174 2.656 405 1HB GLN 45 HB2 GLN 45 84.236 10.347 4.232 406 2HB GLN 45 HB1 GLN 45 84.523 8.700 3.680 407 1HG GLN 45 HG2 GLN 45 86.686 8.621 4.606 408 2HG GLN 45 HG1 GLN 45 86.789 10.378 4.746 409 1HE2 GLN 45 HE21 GLN 45 87.176 10.317 7.059 410 2HE2 GLN 45 HE22 GLN 45 85.958 9.874 8.153 411 H GLU 46 HN GLU 46 87.853 9.877 3.285 412 HA GLU 46 HA GLU 46 88.469 7.629 1.455 413 1HB GLU 46 HB2 GLU 46 89.969 10.205 1.842 414 2HB GLU 46 HB1 GLU 46 90.863 8.741 1.432 415 1HG GLU 46 HG2 GLU 46 89.698 8.477 -0.621 416 2HG GLU 46 HG1 GLU 46 88.460 9.649 -0.164 417 H TRP 47 HN TRP 47 90.296 6.293 2.233 418 HA TRP 47 HA TRP 47 90.881 6.578 5.145 419 1HB TRP 47 HB2 TRP 47 89.914 4.049 3.797 420 2HB TRP 47 HB1 TRP 47 90.442 4.171 5.467 421 HD1 TRP 47 HD1 TRP 47 87.728 5.585 3.121 422 HE1 TRP 47 HE1 TRP 47 85.656 6.169 4.538 423 HE3 TRP 47 HE3 TRP 47 89.536 4.597 7.797 424 HZ2 TRP 47 HZ2 TRP 47 84.867 6.213 7.270 425 HZ3 TRP 47 HZ3 TRP 47 88.098 4.921 9.790 426 HH2 TRP 47 HH2 TRP 47 85.766 5.729 9.534 427 H SER 48 HN SER 48 92.938 5.819 5.710 428 HA SER 48 HA SER 48 94.804 5.426 3.510 429 1HB SER 48 HB2 SER 48 95.038 5.567 6.490 430 2HB SER 48 HB1 SER 48 96.392 4.956 5.547 431 HG SER 48 HG SER 48 95.788 7.015 4.245 432 H LEU 49 HN LEU 49 95.506 3.492 2.699 433 HA LEU 49 HA LEU 49 94.182 1.064 3.350 434 1HB LEU 49 HB2 LEU 49 96.331 1.951 1.562 435 2HB LEU 49 HB1 LEU 49 96.666 0.341 2.188 436 HG LEU 49 HG LEU 49 93.960 1.043 1.038 437 1HD1 LEU 49 HD11 LEU 49 96.471 0.164 -0.400 438 2HD1 LEU 49 HD12 LEU 49 95.436 1.542 -0.769 439 3HD1 LEU 49 HD13 LEU 49 94.860 -0.098 -1.067 440 1HD2 LEU 49 HD21 LEU 49 95.406 -1.614 1.061 441 2HD2 LEU 49 HD22 LEU 49 93.678 -1.311 0.886 442 3HD2 LEU 49 HD23 LEU 49 94.461 -1.071 2.446 443 H THR 50 HN THR 50 97.182 2.489 4.529 444 HA THR 50 HA THR 50 98.084 0.159 5.957 445 HB THR 50 HB THR 50 99.591 1.718 7.118 446 HG1 THR 50 HG1 THR 50 99.331 3.982 6.478 447 1HG2 THR 50 HG21 THR 50 100.785 2.511 5.201 448 2HG2 THR 50 HG22 THR 50 99.309 2.595 4.238 449 3HG2 THR 50 HG23 THR 50 99.973 1.027 4.701 450 H ASN 51 HN ASN 51 95.391 2.053 6.400 451 HA ASN 51 HA ASN 51 95.409 2.010 9.356 452 1HB ASN 51 HB2 ASN 51 94.399 3.887 7.968 453 2HB ASN 51 HB1 ASN 51 93.119 2.764 7.527 454 1HD2 ASN 51 HD21 ASN 51 92.647 5.165 9.084 455 2HD2 ASN 51 HD22 ASN 51 92.134 4.683 10.629 456 H ILE 52 HN ILE 52 93.876 0.295 6.667 457 HA ILE 52 HA ILE 52 91.899 -1.112 8.127 458 HB ILE 52 HB ILE 52 93.520 -2.081 5.751 459 1HG1 ILE 52 HG12 ILE 52 90.834 -0.666 5.871 460 2HG1 ILE 52 HG11 ILE 52 92.354 0.115 5.438 461 1HG2 ILE 52 HG21 ILE 52 92.332 -3.924 6.819 462 2HG2 ILE 52 HG22 ILE 52 91.482 -3.488 5.339 463 3HG2 ILE 52 HG23 ILE 52 90.854 -2.966 6.901 464 1HD1 ILE 52 HD11 ILE 52 92.558 -1.741 3.637 465 2HD1 ILE 52 HD12 ILE 52 91.402 -0.441 3.352 466 3HD1 ILE 52 HD13 ILE 52 90.839 -2.010 3.926 467 H LYS 53 HN LYS 53 92.202 -2.396 9.865 468 HA LYS 53 HA LYS 53 94.816 -3.627 10.402 469 1HB LYS 53 HB2 LYS 53 93.310 -2.624 12.186 470 2HB LYS 53 HB1 LYS 53 92.222 -3.988 11.928 471 1HG LYS 53 HG2 LYS 53 94.307 -5.473 12.328 472 2HG LYS 53 HG1 LYS 53 95.047 -4.018 12.994 473 1HD LYS 53 HD2 LYS 53 93.234 -3.805 14.625 474 2HD LYS 53 HD1 LYS 53 92.415 -5.202 13.929 475 1HE LYS 53 HE2 LYS 53 93.548 -6.144 15.754 476 2HE LYS 53 HE1 LYS 53 94.663 -6.454 14.425 477 1HZ LYS 53 HZ1 LYS 53 94.854 -4.477 16.590 478 2HZ LYS 53 HZ2 LYS 53 95.595 -4.141 15.098 479 3HZ LYS 53 HZ3 LYS 53 96.042 -5.523 15.980 480 H ARG 54 HN ARG 54 91.468 -4.784 9.906 481 HA ARG 54 HA ARG 54 92.519 -7.172 8.522 482 1HB ARG 54 HB2 ARG 54 91.799 -8.780 10.037 483 2HB ARG 54 HB1 ARG 54 92.152 -7.491 11.180 484 1HG ARG 54 HG2 ARG 54 89.707 -6.771 10.890 485 2HG ARG 54 HG1 ARG 54 89.454 -8.306 10.073 486 1HD ARG 54 HD2 ARG 54 88.914 -8.938 12.227 487 2HD ARG 54 HD1 ARG 54 90.648 -9.251 12.278 488 HE ARG 54 HE ARG 54 90.341 -6.566 13.053 489 1HH1 ARG 54 HH21 ARG 54 89.198 -9.671 14.029 490 2HH1 ARG 54 HH22 ARG 54 89.016 -9.227 15.693 491 1HH2 ARG 54 HH11 ARG 54 90.106 -5.971 15.219 492 2HH2 ARG 54 HH12 ARG 54 89.530 -7.133 16.366 493 H TRP 55 HN TRP 55 90.416 -8.555 7.918 494 HA TRP 55 HA TRP 55 88.009 -6.951 7.580 495 1HB TRP 55 HB2 TRP 55 87.987 -7.062 5.100 496 2HB TRP 55 HB1 TRP 55 89.319 -6.077 5.699 497 HD1 TRP 55 HD1 TRP 55 88.619 -9.625 4.373 498 HE1 TRP 55 HE1 TRP 55 90.787 -10.535 3.305 499 HE3 TRP 55 HE3 TRP 55 91.831 -5.821 5.510 500 HZ2 TRP 55 HZ2 TRP 55 93.509 -9.742 2.960 501 HZ3 TRP 55 HZ3 TRP 55 94.201 -5.925 4.796 502 HH2 TRP 55 HH2 TRP 55 95.040 -7.882 3.524 503 H ALA 56 HN ALA 56 86.371 -8.262 6.238 504 HA ALA 56 HA ALA 56 86.907 -11.176 6.257 505 1HB ALA 56 HB1 ALA 56 84.608 -11.418 7.500 506 2HB ALA 56 HB2 ALA 56 84.939 -9.782 8.067 507 3HB ALA 56 HB3 ALA 56 86.059 -11.088 8.446 508 H ALA 57 HN ALA 57 86.301 -11.683 4.213 509 HA ALA 57 HA ALA 57 84.068 -10.177 2.940 510 1HB ALA 57 HB1 ALA 57 84.889 -11.315 0.862 511 2HB ALA 57 HB2 ALA 57 86.172 -12.046 1.826 512 3HB ALA 57 HB3 ALA 57 86.097 -10.296 1.638 513 H SER 58 HN SER 58 82.101 -11.065 3.044 514 HA SER 58 HA SER 58 81.838 -14.015 3.305 515 1HB SER 58 HB2 SER 58 80.203 -11.658 4.141 516 2HB SER 58 HB1 SER 58 79.330 -13.126 3.726 517 HG SER 58 HG SER 58 79.908 -13.844 5.602 518 HA PRO 59 HA PRO 59 80.407 -14.383 -0.850 519 1HB PRO 59 HB2 PRO 59 78.012 -15.892 -0.357 520 2HB PRO 59 HB1 PRO 59 79.607 -16.527 -0.784 521 1HG PRO 59 HG2 PRO 59 78.269 -16.506 1.847 522 2HG PRO 59 HG1 PRO 59 79.670 -17.451 1.319 523 1HD PRO 59 HD2 PRO 59 79.755 -15.260 3.079 524 2HD PRO 59 HD1 PRO 59 81.148 -15.936 2.217 525 H LYS 60 HN LYS 60 78.952 -12.391 1.313 526 HA LYS 60 HA LYS 60 77.045 -11.375 -0.733 527 1HB LYS 60 HB2 LYS 60 75.267 -11.179 0.933 528 2HB LYS 60 HB1 LYS 60 75.782 -12.856 0.797 529 1HG LYS 60 HG2 LYS 60 77.433 -12.232 2.740 530 2HG LYS 60 HG1 LYS 60 76.317 -10.899 3.007 531 1HD LYS 60 HD2 LYS 60 74.451 -12.618 3.060 532 2HD LYS 60 HD1 LYS 60 75.709 -13.856 3.080 533 1HE LYS 60 HE2 LYS 60 75.140 -13.459 5.372 534 2HE LYS 60 HE1 LYS 60 76.686 -12.654 5.104 535 1HZ LYS 60 HZ1 LYS 60 75.783 -10.649 5.403 536 2HZ LYS 60 HZ2 LYS 60 74.507 -11.481 6.155 537 3HZ LYS 60 HZ3 LYS 60 74.381 -11.021 4.525 538 H SER 61 HN SER 61 78.840 -10.818 2.267 539 HA SER 61 HA SER 61 78.673 -7.867 1.718 540 1HB SER 61 HB2 SER 61 78.531 -7.465 4.121 541 2HB SER 61 HB1 SER 61 77.202 -8.496 3.602 542 HG SER 61 HG SER 61 78.786 -9.023 5.519 543 H PHE 62 HN PHE 62 80.358 -6.623 2.828 544 HA PHE 62 HA PHE 62 82.947 -8.110 3.120 545 1HB PHE 62 HB2 PHE 62 82.797 -6.842 0.953 546 2HB PHE 62 HB1 PHE 62 82.557 -5.364 1.882 547 HD1 PHE 62 HD1 PHE 62 84.882 -8.311 1.820 548 HD2 PHE 62 HD2 PHE 62 84.458 -4.071 2.332 549 HE1 PHE 62 HE1 PHE 62 87.335 -8.104 2.102 550 HE2 PHE 62 HE2 PHE 62 86.914 -3.862 2.611 551 HZ PHE 62 HZ PHE 62 88.352 -5.878 2.498 552 H THR 63 HN THR 63 84.205 -7.419 4.883 553 HA THR 63 HA THR 63 83.197 -5.063 6.453 554 HB THR 63 HB THR 63 83.784 -7.864 7.432 555 HG1 THR 63 HG1 THR 63 81.672 -7.544 6.952 556 1HG2 THR 63 HG21 THR 63 84.934 -6.653 9.074 557 2HG2 THR 63 HG22 THR 63 83.301 -6.705 9.739 558 3HG2 THR 63 HG23 THR 63 83.872 -5.250 8.922 559 H LEU 64 HN LEU 64 84.812 -3.729 7.117 560 HA LEU 64 HA LEU 64 87.637 -4.747 7.010 561 1HB LEU 64 HB2 LEU 64 88.122 -2.204 6.487 562 2HB LEU 64 HB1 LEU 64 87.678 -3.301 5.183 563 HG LEU 64 HG LEU 64 85.479 -1.889 6.657 564 1HD1 LEU 64 HD11 LEU 64 86.876 -0.009 6.230 565 2HD1 LEU 64 HD12 LEU 64 85.701 -0.026 4.916 566 3HD1 LEU 64 HD13 LEU 64 87.338 -0.620 4.641 567 1HD2 LEU 64 HD21 LEU 64 84.228 -2.335 4.751 568 2HD2 LEU 64 HD22 LEU 64 85.368 -3.673 4.660 569 3HD2 LEU 64 HD23 LEU 64 85.621 -2.235 3.676 570 H ASP 65 HN ASP 65 89.051 -3.735 8.560 571 HA ASP 65 HA ASP 65 87.641 -2.347 10.820 572 1HB ASP 65 HB2 ASP 65 89.800 -4.448 11.139 573 2HB ASP 65 HB1 ASP 65 88.837 -3.703 12.413 574 H PHE 66 HN PHE 66 88.650 -0.533 11.469 575 HA PHE 66 HA PHE 66 91.328 0.087 10.323 576 1HB PHE 66 HB2 PHE 66 89.260 1.806 11.728 577 2HB PHE 66 HB1 PHE 66 90.805 2.401 11.121 578 HD1 PHE 66 HD1 PHE 66 91.329 1.731 8.593 579 HD2 PHE 66 HD2 PHE 66 87.397 1.950 10.309 580 HE1 PHE 66 HE1 PHE 66 90.354 1.986 6.328 581 HE2 PHE 66 HE2 PHE 66 86.424 2.205 8.044 582 HZ PHE 66 HZ PHE 66 87.901 2.224 6.053 583 H GLY 67 HN GLY 67 90.046 -1.258 13.060 584 1HA GLY 67 HA2 GLY 67 91.182 -1.864 15.052 585 2HA GLY 67 HA1 GLY 67 92.521 -0.819 14.570 586 H ASP 68 HN ASP 68 89.969 1.112 14.105 587 HA ASP 68 HA ASP 68 90.368 2.471 16.688 588 1HB ASP 68 HB2 ASP 68 88.478 3.365 14.526 589 2HB ASP 68 HB1 ASP 68 89.361 4.344 15.691 590 H TYR 69 HN TYR 69 89.285 0.989 18.115 591 HA TYR 69 HA TYR 69 86.764 -0.145 17.888 592 1HB TYR 69 HB2 TYR 69 88.140 -0.555 19.839 593 2HB TYR 69 HB1 TYR 69 88.049 1.141 20.312 594 HD1 TYR 69 HD1 TYR 69 86.217 1.969 21.577 595 HD2 TYR 69 HD2 TYR 69 86.013 -1.931 19.795 596 HE1 TYR 69 HE1 TYR 69 84.130 1.505 22.836 597 HE2 TYR 69 HE2 TYR 69 83.927 -2.399 21.053 598 HH TYR 69 HH TYR 69 82.221 -1.377 22.227 599 H GLN 70 HN GLN 70 87.542 3.169 18.867 600 HA GLN 70 HA GLN 70 84.966 4.085 19.516 601 1HB GLN 70 HB2 GLN 70 85.984 6.319 18.369 602 2HB GLN 70 HB1 GLN 70 86.521 5.744 19.937 603 1HG GLN 70 HG2 GLN 70 87.876 4.701 17.473 604 2HG GLN 70 HG1 GLN 70 88.295 6.300 18.071 605 1HE2 GLN 70 HE21 GLN 70 89.228 3.107 18.305 606 2HE2 GLN 70 HE22 GLN 70 89.953 3.142 19.839 607 H ASP 71 HN ASP 71 86.547 4.406 16.307 608 HA ASP 71 HA ASP 71 84.203 5.280 14.965 609 1HB ASP 71 HB2 ASP 71 86.667 5.281 14.174 610 2HB ASP 71 HB1 ASP 71 86.345 3.637 13.639 611 H GLY 72 HN GLY 72 85.471 2.066 15.637 612 1HA GLY 72 HA2 GLY 72 84.200 0.060 15.797 613 2HA GLY 72 HA1 GLY 72 82.817 0.913 15.115 614 H TYR 73 HN TYR 73 83.176 -1.494 14.050 615 HA TYR 73 HA TYR 73 85.025 -1.518 11.806 616 1HB TYR 73 HB2 TYR 73 82.609 -3.282 12.269 617 2HB TYR 73 HB1 TYR 73 83.981 -3.627 11.226 618 HD1 TYR 73 HD1 TYR 73 86.344 -3.355 12.474 619 HD2 TYR 73 HD2 TYR 73 82.623 -4.301 14.380 620 HE1 TYR 73 HE1 TYR 73 87.583 -4.377 14.363 621 HE2 TYR 73 HE2 TYR 73 83.853 -5.317 16.280 622 HH TYR 73 HH TYR 73 86.192 -6.390 16.590 623 H TYR 74 HN TYR 74 84.189 -1.824 9.542 624 HA TYR 74 HA TYR 74 81.704 -0.271 8.978 625 1HB TYR 74 HB2 TYR 74 83.742 1.150 8.640 626 2HB TYR 74 HB1 TYR 74 84.326 -0.038 7.482 627 HD1 TYR 74 HD1 TYR 74 81.687 2.468 8.155 628 HD2 TYR 74 HD2 TYR 74 83.392 -0.216 5.268 629 HE1 TYR 74 HE1 TYR 74 80.353 3.545 6.364 630 HE2 TYR 74 HE2 TYR 74 82.058 0.859 3.477 631 HH TYR 74 HH TYR 74 80.376 2.289 3.046 632 H SER 75 HN SER 75 80.440 -1.864 8.151 633 HA SER 75 HA SER 75 81.567 -3.589 5.984 634 1HB SER 75 HB2 SER 75 81.151 -4.803 8.169 635 2HB SER 75 HB1 SER 75 79.442 -4.434 7.963 636 HG SER 75 HG SER 75 79.745 -6.393 7.021 637 H VAL 76 HN VAL 76 80.097 -4.234 4.363 638 HA VAL 76 HA VAL 76 77.431 -2.964 4.268 639 HB VAL 76 HB VAL 76 77.955 -1.909 2.045 640 1HG1 VAL 76 HG11 VAL 76 78.956 0.053 2.981 641 2HG1 VAL 76 HG12 VAL 76 79.784 -0.879 4.226 642 3HG1 VAL 76 HG13 VAL 76 78.032 -0.689 4.287 643 1HG2 VAL 76 HG21 VAL 76 80.329 -1.588 1.463 644 2HG2 VAL 76 HG22 VAL 76 79.941 -3.305 1.538 645 3HG2 VAL 76 HG23 VAL 76 80.810 -2.540 2.865 646 H GLN 77 HN GLN 77 76.371 -3.637 2.067 647 HA GLN 77 HA GLN 77 76.777 -6.508 1.781 648 1HB GLN 77 HB2 GLN 77 74.855 -4.459 0.745 649 2HB GLN 77 HB1 GLN 77 74.997 -5.959 -0.167 650 1HG GLN 77 HG2 GLN 77 74.650 -6.084 2.825 651 2HG GLN 77 HG1 GLN 77 73.247 -5.780 1.806 652 1HE2 GLN 77 HE21 GLN 77 75.726 -8.181 2.618 653 2HE2 GLN 77 HE22 GLN 77 74.972 -9.484 1.833 654 H THR 78 HN THR 78 77.888 -7.532 0.164 655 HA THR 78 HA THR 78 78.624 -6.095 -2.303 656 HB THR 78 HB THR 78 80.984 -6.410 -2.076 657 HG1 THR 78 HG1 THR 78 81.243 -8.288 -1.064 658 1HG2 THR 78 HG21 THR 78 81.533 -5.019 -0.182 659 2HG2 THR 78 HG22 THR 78 80.030 -5.451 0.631 660 3HG2 THR 78 HG23 THR 78 79.993 -4.464 -0.828 661 H THR 79 HN THR 79 78.221 -7.532 -3.876 662 HA THR 79 HA THR 79 77.933 -10.375 -3.321 663 HB THR 79 HB THR 79 78.072 -8.902 -5.969 664 HG1 THR 79 HG1 THR 79 76.164 -9.115 -4.043 665 1HG2 THR 79 HG21 THR 79 78.480 -11.280 -6.246 666 2HG2 THR 79 HG22 THR 79 76.845 -10.917 -6.800 667 3HG2 THR 79 HG23 THR 79 77.096 -11.671 -5.226 668 H GLU 80 HN GLU 80 80.457 -8.248 -4.254 669 HA GLU 80 HA GLU 80 82.245 -10.535 -4.973 670 1HB GLU 80 HB2 GLU 80 82.603 -7.593 -5.603 671 2HB GLU 80 HB1 GLU 80 83.603 -8.922 -6.184 672 1HG GLU 80 HG2 GLU 80 81.416 -9.880 -7.183 673 2HG GLU 80 HG1 GLU 80 80.747 -8.275 -6.910 674 H GLY 81 HN GLY 81 81.513 -9.503 -2.261 675 1HA GLY 81 HA2 GLY 81 83.430 -7.909 -1.029 676 2HA GLY 81 HA1 GLY 81 82.706 -9.306 -0.232 677 H GLU 82 HN GLU 82 83.913 -10.928 -2.583 678 HA GLU 82 HA GLU 82 86.387 -11.609 -1.180 679 1HB GLU 82 HB2 GLU 82 85.230 -13.476 -2.086 680 2HB GLU 82 HB1 GLU 82 84.961 -12.665 -3.623 681 1HG GLU 82 HG2 GLU 82 87.187 -12.942 -4.304 682 2HG GLU 82 HG1 GLU 82 87.747 -13.259 -2.670 683 H GLN 83 HN GLN 83 85.632 -10.610 -4.512 684 HA GLN 83 HA GLN 83 88.255 -10.118 -5.388 685 1HB GLN 83 HB2 GLN 83 85.902 -8.374 -6.116 686 2HB GLN 83 HB1 GLN 83 87.313 -8.723 -7.097 687 1HG GLN 83 HG2 GLN 83 86.635 -11.038 -7.330 688 2HG GLN 83 HG1 GLN 83 85.299 -10.789 -6.219 689 1HE2 GLN 83 HE21 GLN 83 83.624 -11.213 -7.733 690 2HE2 GLN 83 HE22 GLN 83 83.297 -10.189 -9.045 691 H ILE 84 HN ILE 84 85.991 -7.926 -3.785 692 HA ILE 84 HA ILE 84 87.655 -5.640 -3.668 693 HB ILE 84 HB ILE 84 85.760 -6.608 -1.500 694 1HG1 ILE 84 HG12 ILE 84 85.242 -4.960 -3.997 695 2HG1 ILE 84 HG11 ILE 84 84.643 -6.588 -3.685 696 1HG2 ILE 84 HG21 ILE 84 86.551 -3.787 -2.286 697 2HG2 ILE 84 HG22 ILE 84 87.308 -4.674 -0.965 698 3HG2 ILE 84 HG23 ILE 84 85.595 -4.274 -0.888 699 1HD1 ILE 84 HD11 ILE 84 83.906 -4.034 -2.247 700 2HD1 ILE 84 HD12 ILE 84 83.532 -5.629 -1.593 701 3HD1 ILE 84 HD13 ILE 84 82.841 -5.123 -3.136 702 H ALA 85 HN ALA 85 87.725 -8.655 -1.922 703 HA ALA 85 HA ALA 85 89.664 -7.697 0.072 704 1HB ALA 85 HB1 ALA 85 89.036 -10.595 -0.489 705 2HB ALA 85 HB2 ALA 85 87.883 -9.571 0.361 706 3HB ALA 85 HB3 ALA 85 89.487 -9.835 1.038 707 H GLN 86 HN GLN 86 89.650 -9.400 -3.002 708 HA GLN 86 HA GLN 86 92.460 -10.176 -2.811 709 1HB GLN 86 HB2 GLN 86 90.608 -11.317 -4.201 710 2HB GLN 86 HB1 GLN 86 90.841 -10.006 -5.344 711 1HG GLN 86 HG2 GLN 86 93.331 -10.603 -5.270 712 2HG GLN 86 HG1 GLN 86 92.832 -12.087 -4.472 713 1HE2 GLN 86 HE21 GLN 86 93.592 -13.306 -6.385 714 2HE2 GLN 86 HE22 GLN 86 92.651 -13.342 -7.793 715 H LEU 87 HN LEU 87 90.554 -7.617 -4.267 716 HA LEU 87 HA LEU 87 92.751 -6.381 -5.663 717 1HB LEU 87 HB2 LEU 87 90.437 -5.911 -6.322 718 2HB LEU 87 HB1 LEU 87 90.088 -5.274 -4.717 719 HG LEU 87 HG LEU 87 91.661 -3.442 -5.054 720 1HD1 LEU 87 HD11 LEU 87 92.306 -4.986 -7.566 721 2HD1 LEU 87 HD12 LEU 87 93.408 -4.267 -6.392 722 3HD1 LEU 87 HD13 LEU 87 92.543 -3.239 -7.531 723 1HD2 LEU 87 HD21 LEU 87 89.455 -2.943 -5.811 724 2HD2 LEU 87 HD22 LEU 87 89.653 -3.919 -7.267 725 3HD2 LEU 87 HD23 LEU 87 90.523 -2.393 -7.102 726 H ILE 88 HN ILE 88 91.175 -5.955 -2.552 727 HA ILE 88 HA ILE 88 92.810 -3.751 -1.661 728 HB ILE 88 HB ILE 88 91.104 -5.817 -0.251 729 1HG1 ILE 88 HG12 ILE 88 90.184 -3.803 -1.688 730 2HG1 ILE 88 HG11 ILE 88 89.449 -4.168 -0.134 731 1HG2 ILE 88 HG21 ILE 88 92.705 -5.316 1.414 732 2HG2 ILE 88 HG22 ILE 88 91.370 -4.217 1.765 733 3HG2 ILE 88 HG23 ILE 88 92.807 -3.622 0.933 734 1HD1 ILE 88 HD11 ILE 88 91.670 -2.133 -0.449 735 2HD1 ILE 88 HD12 ILE 88 90.619 -2.377 0.946 736 3HD1 ILE 88 HD13 ILE 88 89.962 -1.717 -0.546 737 H ALA 89 HN ALA 89 92.827 -7.238 -0.937 738 HA ALA 89 HA ALA 89 95.216 -7.257 0.610 739 1HB ALA 89 HB1 ALA 89 94.055 -9.422 -1.172 740 2HB ALA 89 HB2 ALA 89 93.699 -9.183 0.540 741 3HB ALA 89 HB3 ALA 89 95.316 -9.676 0.035 742 H GLY 90 HN GLY 90 94.682 -6.802 -2.745 743 1HA GLY 90 HA2 GLY 90 97.385 -7.653 -3.550 744 2HA GLY 90 HA1 GLY 90 96.154 -6.970 -4.607 745 H TYR 91 HN TYR 91 95.742 -4.675 -2.652 746 HA TYR 91 HA TYR 91 97.875 -2.991 -3.775 747 1HB TYR 91 HB2 TYR 91 95.366 -2.491 -2.185 748 2HB TYR 91 HB1 TYR 91 96.580 -1.224 -2.289 749 HD1 TYR 91 HD1 TYR 91 93.619 -2.246 -3.705 750 HD2 TYR 91 HD2 TYR 91 97.577 -1.052 -4.900 751 HE1 TYR 91 HE1 TYR 91 92.755 -1.569 -5.923 752 HE2 TYR 91 HE2 TYR 91 96.706 -0.399 -7.119 753 HH TYR 91 HH TYR 91 94.898 -0.682 -8.543 754 H ILE 92 HN ILE 92 97.100 -4.514 -0.739 755 HA ILE 92 HA ILE 92 98.825 -2.876 0.895 756 HB ILE 92 HB ILE 92 97.828 -5.699 1.349 757 1HG1 ILE 92 HG12 ILE 92 96.714 -3.061 2.349 758 2HG1 ILE 92 HG11 ILE 92 96.077 -3.919 0.944 759 1HG2 ILE 92 HG21 ILE 92 98.158 -4.980 3.781 760 2HG2 ILE 92 HG22 ILE 92 99.085 -3.618 3.153 761 3HG2 ILE 92 HG23 ILE 92 99.635 -5.269 2.862 762 1HD1 ILE 92 HD11 ILE 92 96.137 -4.870 3.819 763 2HD1 ILE 92 HD12 ILE 92 95.781 -5.938 2.462 764 3HD1 ILE 92 HD13 ILE 92 94.720 -4.575 2.811 765 H ASP 93 HN ASP 93 99.350 -5.623 -1.184 766 HA ASP 93 HA ASP 93 101.971 -6.260 -0.024 767 1HB ASP 93 HB2 ASP 93 100.469 -7.255 -2.454 768 2HB ASP 93 HB1 ASP 93 102.085 -7.815 -2.025 769 H ILE 94 HN ILE 94 100.717 -4.186 -2.495 770 HA ILE 94 HA ILE 94 103.285 -3.970 -3.917 771 HB ILE 94 HB ILE 94 100.725 -2.384 -4.218 772 1HG1 ILE 94 HG12 ILE 94 101.794 -4.632 -5.943 773 2HG1 ILE 94 HG11 ILE 94 100.630 -4.895 -4.645 774 1HG2 ILE 94 HG21 ILE 94 102.506 -1.112 -5.166 775 2HG2 ILE 94 HG22 ILE 94 101.780 -1.972 -6.524 776 3HG2 ILE 94 HG23 ILE 94 103.288 -2.554 -5.815 777 1HD1 ILE 94 HD11 ILE 94 99.138 -3.187 -5.742 778 2HD1 ILE 94 HD12 ILE 94 99.393 -4.640 -6.707 779 3HD1 ILE 94 HD13 ILE 94 100.264 -3.158 -7.099 780 H ILE 95 HN ILE 95 101.578 -2.294 -1.388 781 HA ILE 95 HA ILE 95 103.242 0.124 -1.622 782 HB ILE 95 HB ILE 95 102.084 0.779 0.491 783 1HG1 ILE 95 HG12 ILE 95 100.765 -1.927 0.116 784 2HG1 ILE 95 HG11 ILE 95 101.771 -1.427 1.474 785 1HG2 ILE 95 HG21 ILE 95 101.158 1.160 -1.850 786 2HG2 ILE 95 HG22 ILE 95 99.967 1.181 -0.550 787 3HG2 ILE 95 HG23 ILE 95 100.129 -0.244 -1.575 788 1HD1 ILE 95 HD11 ILE 95 99.569 -1.146 2.283 789 2HD1 ILE 95 HD12 ILE 95 98.999 -0.483 0.751 790 3HD1 ILE 95 HD13 ILE 95 100.044 0.481 1.796 791 H LEU 96 HN LEU 96 103.165 -2.840 0.211 792 HA LEU 96 HA LEU 96 105.118 -1.960 2.180 793 1HB LEU 96 HB2 LEU 96 103.608 -4.440 1.534 794 2HB LEU 96 HB1 LEU 96 105.132 -4.687 2.388 795 HG LEU 96 HG LEU 96 103.173 -2.609 3.376 796 1HD1 LEU 96 HD11 LEU 96 103.125 -5.560 4.060 797 2HD1 LEU 96 HD12 LEU 96 101.895 -4.711 3.124 798 3HD1 LEU 96 HD13 LEU 96 102.147 -4.307 4.821 799 1HD2 LEU 96 HD21 LEU 96 105.475 -2.738 4.333 800 2HD2 LEU 96 HD22 LEU 96 105.172 -4.414 4.782 801 3HD2 LEU 96 HD23 LEU 96 104.239 -3.120 5.530 802 H LYS 97 HN LYS 97 105.273 -3.739 -0.879 803 HA LYS 97 HA LYS 97 108.017 -4.568 -0.536 804 1HB LYS 97 HB2 LYS 97 107.961 -5.198 -2.850 805 2HB LYS 97 HB1 LYS 97 106.368 -5.558 -2.187 806 1HG LYS 97 HG2 LYS 97 105.660 -3.245 -3.007 807 2HG LYS 97 HG1 LYS 97 107.172 -3.213 -3.908 808 1HD LYS 97 HD2 LYS 97 105.113 -5.421 -4.155 809 2HD LYS 97 HD1 LYS 97 105.213 -4.037 -5.243 810 1HE LYS 97 HE2 LYS 97 107.664 -4.707 -5.622 811 2HE LYS 97 HE1 LYS 97 107.252 -6.230 -4.833 812 1HZ LYS 97 HZ1 LYS 97 107.005 -5.875 -7.425 813 2HZ LYS 97 HZ2 LYS 97 105.478 -5.300 -6.955 814 3HZ LYS 97 HZ3 LYS 97 105.955 -6.880 -6.552 815 H LYS 98 HN LYS 98 106.512 -1.794 -2.212 816 HA LYS 98 HA LYS 98 108.850 -0.630 -3.267 817 1HB LYS 98 HB2 LYS 98 106.142 0.288 -2.495 818 2HB LYS 98 HB1 LYS 98 107.351 1.566 -2.462 819 1HG LYS 98 HG2 LYS 98 106.273 1.429 -4.661 820 2HG LYS 98 HG1 LYS 98 107.984 1.038 -4.785 821 1HD LYS 98 HD2 LYS 98 107.570 -1.253 -5.105 822 2HD LYS 98 HD1 LYS 98 105.958 -1.162 -4.395 823 1HE LYS 98 HE2 LYS 98 105.142 0.093 -6.328 824 2HE LYS 98 HE1 LYS 98 106.763 0.123 -7.022 825 1HZ LYS 98 HZ1 LYS 98 105.033 -2.242 -6.574 826 2HZ LYS 98 HZ2 LYS 98 106.680 -2.358 -6.975 827 3HZ LYS 98 HZ3 LYS 98 105.589 -1.632 -8.056 828 H LYS 99 HN LYS 99 107.468 -0.355 -0.003 829 HA LYS 99 HA LYS 99 109.496 1.459 0.949 830 1HB LYS 99 HB2 LYS 99 107.607 -0.375 2.428 831 2HB LYS 99 HB1 LYS 99 108.621 0.838 3.205 832 1HG LYS 99 HG2 LYS 99 107.538 2.541 1.634 833 2HG LYS 99 HG1 LYS 99 106.365 1.285 1.244 834 1HD LYS 99 HD2 LYS 99 105.721 1.104 3.594 835 2HD LYS 99 HD1 LYS 99 106.954 2.282 4.045 836 1HE LYS 99 HE2 LYS 99 105.795 3.908 2.457 837 2HE LYS 99 HE1 LYS 99 104.468 2.748 2.388 838 1HZ LYS 99 HZ1 LYS 99 104.554 2.856 4.920 839 2HZ LYS 99 HZ2 LYS 99 103.881 4.182 4.098 840 3HZ LYS 99 HZ3 LYS 99 105.462 4.272 4.712 841 H LYS 100 HN LYS 100 109.391 -1.959 0.459 842 HA LYS 100 HA LYS 100 110.911 -3.663 1.013 843 1HB LYS 100 HB2 LYS 100 112.349 -2.156 -0.378 844 2HB LYS 100 HB1 LYS 100 112.862 -1.340 1.100 845 1HG LYS 100 HG2 LYS 100 113.728 -3.484 1.979 846 2HG LYS 100 HG1 LYS 100 113.239 -4.289 0.490 847 1HD LYS 100 HD2 LYS 100 115.180 -1.959 0.614 848 2HD LYS 100 HD1 LYS 100 115.668 -3.650 0.530 849 1HE LYS 100 HE2 LYS 100 114.091 -3.702 -1.591 850 2HE LYS 100 HE1 LYS 100 114.347 -1.957 -1.572 851 1HZ LYS 100 HZ1 LYS 100 116.438 -2.190 -2.253 852 2HZ LYS 100 HZ2 LYS 100 116.011 -3.777 -2.681 853 3HZ LYS 100 HZ3 LYS 100 116.757 -3.469 -1.186 854 1H SER 1 HT1 SER 1 84.653 -17.618 10.762 855 2H SER 1 HT2 SER 1 85.103 -16.113 11.408 856 3H SER 1 HT3 SER 1 85.777 -17.543 12.030 857 HA SER 1 HA SER 1 87.379 -17.577 10.516 858 1HB SER 1 HB2 SER 1 85.192 -16.932 8.516 859 2HB SER 1 HB1 SER 1 86.848 -17.354 8.090 860 HG SER 1 HG SER 1 84.928 -19.015 8.420 861 H TRP 2 HN TRP 2 88.856 -16.045 9.623 862 HA TRP 2 HA TRP 2 87.976 -13.289 9.128 863 1HB TRP 2 HB2 TRP 2 89.382 -14.113 11.653 864 2HB TRP 2 HB1 TRP 2 89.856 -12.584 10.921 865 HD1 TRP 2 HD1 TRP 2 87.225 -14.151 13.024 866 HE1 TRP 2 HE1 TRP 2 85.370 -12.434 13.540 867 HE3 TRP 2 HE3 TRP 2 88.501 -10.468 9.733 868 HZ2 TRP 2 HZ2 TRP 2 84.543 -9.834 12.668 869 HZ3 TRP 2 HZ3 TRP 2 87.168 -8.383 9.596 870 HH2 TRP 2 HH2 TRP 2 85.198 -8.063 11.057 871 H VAL 3 HN VAL 3 90.113 -11.918 8.825 872 HA VAL 3 HA VAL 3 92.410 -13.450 7.863 873 HB VAL 3 HB VAL 3 91.096 -13.626 5.874 874 1HG1 VAL 3 HG11 VAL 3 89.969 -11.673 4.879 875 2HG1 VAL 3 HG12 VAL 3 90.520 -10.683 6.231 876 3HG1 VAL 3 HG13 VAL 3 89.373 -11.997 6.508 877 1HG2 VAL 3 HG21 VAL 3 92.450 -12.490 4.297 878 2HG2 VAL 3 HG22 VAL 3 93.492 -12.644 5.716 879 3HG2 VAL 3 HG23 VAL 3 92.692 -11.109 5.369 880 1HN PTR 4 HN PTR 4 94.249 -12.183 7.974 881 HA PTR 4 HA PTR 4 93.860 -9.293 8.717 882 1HB PTR 4 HB1 PTR 4 96.118 -9.666 9.911 883 2HB PTR 4 HB2 PTR 4 95.811 -11.387 9.691 884 HD1 PTR 4 HD1 PTR 4 93.292 -12.118 10.354 885 HD2 PTR 4 HD2 PTR 4 95.389 -8.701 11.913 886 HE1 PTR 4 HE1 PTR 4 91.817 -12.116 12.343 887 HE2 PTR 4 HE2 PTR 4 93.909 -8.703 13.900 888 H SER 5 HN SER 5 96.457 -8.459 8.583 889 HA SER 5 HA SER 5 97.541 -9.188 5.931 890 1HB SER 5 HB2 SER 5 96.831 -7.291 4.874 891 2HB SER 5 HB1 SER 5 95.836 -6.950 6.284 892 HG SER 5 HG SER 5 97.356 -5.621 7.050 893 HA PRO 6 HA PRO 6 101.373 -8.413 7.952 894 1HB PRO 6 HB2 PRO 6 102.717 -6.873 5.957 895 2HB PRO 6 HB1 PRO 6 102.754 -8.631 6.133 896 1HG PRO 6 HG2 PRO 6 101.301 -7.016 4.138 897 2HG PRO 6 HG1 PRO 6 101.651 -8.751 4.121 898 1HD PRO 6 HD2 PRO 6 99.127 -7.561 4.650 899 2HD PRO 6 HD1 PRO 6 99.568 -9.259 4.929 900 H LEU 7 HN LEU 7 101.601 -5.434 6.093 901 HA LEU 7 HA LEU 7 101.950 -3.241 6.893 902 1HB LEU 7 HB2 LEU 7 99.245 -4.100 7.917 903 2HB LEU 7 HB1 LEU 7 99.826 -2.447 8.085 904 HG LEU 7 HG LEU 7 99.685 -3.922 5.440 905 1HD1 LEU 7 HD11 LEU 7 97.703 -2.397 5.031 906 2HD1 LEU 7 HD12 LEU 7 97.729 -2.022 6.754 907 3HD1 LEU 7 HD13 LEU 7 97.428 -3.674 6.217 908 1HD2 LEU 7 HD21 LEU 7 100.535 -1.171 6.294 909 2HD2 LEU 7 HD22 LEU 7 99.644 -1.300 4.780 910 3HD2 LEU 7 HD23 LEU 7 101.151 -2.187 4.990 911 H HIS 8 HN HIS 8 103.746 -3.551 8.313 912 HA HIS 8 HA HIS 8 103.474 -4.418 11.035 913 1HB HIS 8 HB2 HIS 8 105.729 -3.150 11.252 914 2HB HIS 8 HB1 HIS 8 105.661 -4.518 10.142 915 HD1 HIS 8 HD1 HIS 8 105.397 -0.725 10.101 916 HD2 HIS 8 HD2 HIS 8 106.229 -3.871 7.496 917 HE1 HIS 8 HE1 HIS 8 106.121 0.329 7.916 Start of MODEL 12 1 1H LEU 1 HT1 LEU 1 87.914 15.543 -10.026 2 2H LEU 1 HT2 LEU 1 88.871 16.246 -11.242 3 3H LEU 1 HT3 LEU 1 89.354 16.339 -9.616 4 HA LEU 1 HA LEU 1 89.220 13.903 -11.299 5 1HB LEU 1 HB2 LEU 1 91.698 13.864 -10.565 6 2HB LEU 1 HB1 LEU 1 91.239 15.032 -11.800 7 HG LEU 1 HG LEU 1 91.044 15.949 -8.945 8 1HD1 LEU 1 HD11 LEU 1 93.200 14.785 -8.928 9 2HD1 LEU 1 HD12 LEU 1 93.457 16.530 -8.913 10 3HD1 LEU 1 HD13 LEU 1 93.683 15.619 -10.406 11 1HD2 LEU 1 HD21 LEU 1 90.465 17.439 -10.849 12 2HD2 LEU 1 HD22 LEU 1 92.092 17.235 -11.494 13 3HD2 LEU 1 HD23 LEU 1 91.851 18.055 -9.952 14 H LYS 2 HN LYS 2 87.650 14.282 -8.917 15 HA LYS 2 HA LYS 2 88.998 13.101 -6.659 16 1HB LYS 2 HB2 LYS 2 86.108 13.592 -7.374 17 2HB LYS 2 HB1 LYS 2 86.558 12.734 -5.901 18 1HG LYS 2 HG2 LYS 2 86.240 15.190 -5.556 19 2HG LYS 2 HG1 LYS 2 87.851 14.631 -5.125 20 1HD LYS 2 HD2 LYS 2 88.818 15.542 -7.084 21 2HD LYS 2 HD1 LYS 2 87.250 15.726 -7.870 22 1HE LYS 2 HE2 LYS 2 88.163 17.257 -5.416 23 2HE LYS 2 HE1 LYS 2 88.127 17.898 -7.058 24 1HZ LYS 2 HZ1 LYS 2 85.946 17.407 -5.212 25 2HZ LYS 2 HZ2 LYS 2 85.646 16.961 -6.824 26 3HZ LYS 2 HZ3 LYS 2 86.084 18.559 -6.450 27 H THR 3 HN THR 3 88.804 11.727 -9.458 28 HA THR 3 HA THR 3 88.566 9.021 -8.380 29 HB THR 3 HB THR 3 86.234 9.294 -8.788 30 HG1 THR 3 HG1 THR 3 86.732 8.296 -11.286 31 1HG2 THR 3 HG21 THR 3 85.477 10.141 -11.084 32 2HG2 THR 3 HG22 THR 3 87.136 10.698 -11.305 33 3HG2 THR 3 HG23 THR 3 86.157 11.345 -9.989 34 H TYR 4 HN TYR 4 90.836 9.902 -9.312 35 HA TYR 4 HA TYR 4 91.113 9.685 -12.203 36 1HB TYR 4 HB2 TYR 4 92.605 11.003 -10.528 37 2HB TYR 4 HB1 TYR 4 93.395 9.459 -10.240 38 HD1 TYR 4 HD1 TYR 4 94.175 8.137 -12.338 39 HD2 TYR 4 HD2 TYR 4 93.256 12.322 -12.356 40 HE1 TYR 4 HE1 TYR 4 95.500 8.414 -14.417 41 HE2 TYR 4 HE2 TYR 4 94.579 12.609 -14.435 42 HH TYR 4 HH TYR 4 96.701 11.088 -15.483 43 H GLY 5 HN GLY 5 90.371 7.613 -12.794 44 1HA GLY 5 HA2 GLY 5 90.555 5.307 -13.177 45 2HA GLY 5 HA1 GLY 5 92.260 5.499 -12.777 46 H VAL 6 HN VAL 6 89.216 5.729 -10.915 47 HA VAL 6 HA VAL 6 90.469 3.995 -8.808 48 HB VAL 6 HB VAL 6 88.121 5.905 -8.581 49 1HG1 VAL 6 HG11 VAL 6 88.036 4.062 -6.969 50 2HG1 VAL 6 HG12 VAL 6 88.477 5.557 -6.145 51 3HG1 VAL 6 HG13 VAL 6 89.715 4.357 -6.515 52 1HG2 VAL 6 HG21 VAL 6 89.735 7.303 -7.292 53 2HG2 VAL 6 HG22 VAL 6 90.210 7.123 -8.981 54 3HG2 VAL 6 HG23 VAL 6 91.022 6.180 -7.730 55 H SER 7 HN SER 7 89.420 2.088 -8.243 56 HA SER 7 HA SER 7 87.234 1.223 -10.033 57 1HB SER 7 HB2 SER 7 88.426 -0.437 -7.824 58 2HB SER 7 HB1 SER 7 87.724 -0.963 -9.348 59 HG SER 7 HG SER 7 89.545 -0.517 -10.354 60 H PHE 8 HN PHE 8 85.208 1.667 -9.438 61 HA PHE 8 HA PHE 8 84.496 2.075 -6.586 62 1HB PHE 8 HB2 PHE 8 82.425 2.182 -8.757 63 2HB PHE 8 HB1 PHE 8 82.656 3.242 -7.368 64 HD1 PHE 8 HD1 PHE 8 84.635 4.867 -7.390 65 HD2 PHE 8 HD2 PHE 8 83.295 2.750 -10.880 66 HE1 PHE 8 HE1 PHE 8 85.822 6.495 -8.835 67 HE2 PHE 8 HE2 PHE 8 84.483 4.378 -12.324 68 HZ PHE 8 HZ PHE 8 85.746 6.250 -11.302 69 H PHE 9 HN PHE 9 82.583 0.926 -5.709 70 HA PHE 9 HA PHE 9 81.887 -1.644 -7.039 71 1HB PHE 9 HB2 PHE 9 83.223 -1.331 -4.349 72 2HB PHE 9 HB1 PHE 9 82.129 -2.682 -4.632 73 HD1 PHE 9 HD1 PHE 9 85.263 -1.050 -5.787 74 HD2 PHE 9 HD2 PHE 9 82.765 -4.539 -6.002 75 HE1 PHE 9 HE1 PHE 9 87.075 -2.277 -6.954 76 HE2 PHE 9 HE2 PHE 9 84.578 -5.766 -7.169 77 HZ PHE 9 HZ PHE 9 86.732 -4.634 -7.645 78 H LEU 10 HN LEU 10 79.690 -1.829 -6.958 79 HA LEU 10 HA LEU 10 78.150 0.038 -5.332 80 1HB LEU 10 HB2 LEU 10 77.338 -0.599 -7.547 81 2HB LEU 10 HB1 LEU 10 77.272 -2.289 -7.067 82 HG LEU 10 HG LEU 10 75.763 -0.651 -5.148 83 1HD1 LEU 10 HD11 LEU 10 74.716 -0.568 -7.988 84 2HD1 LEU 10 HD12 LEU 10 75.516 0.797 -7.210 85 3HD1 LEU 10 HD13 LEU 10 74.003 0.172 -6.554 86 1HD2 LEU 10 HD21 LEU 10 75.593 -3.157 -5.672 87 2HD2 LEU 10 HD22 LEU 10 74.688 -2.693 -7.110 88 3HD2 LEU 10 HD23 LEU 10 74.068 -2.289 -5.509 89 H VAL 11 HN VAL 11 78.225 -0.344 -3.205 90 HA VAL 11 HA VAL 11 77.523 -3.094 -2.224 91 HB VAL 11 HB VAL 11 78.726 -2.575 -0.190 92 1HG1 VAL 11 HG11 VAL 11 80.941 -2.627 -1.021 93 2HG1 VAL 11 HG12 VAL 11 80.549 -1.583 -2.387 94 3HG1 VAL 11 HG13 VAL 11 79.985 -3.253 -2.364 95 1HG2 VAL 11 HG21 VAL 11 80.035 -0.352 -0.134 96 2HG2 VAL 11 HG22 VAL 11 78.299 -0.272 0.165 97 3HG2 VAL 11 HG23 VAL 11 78.943 0.177 -1.414 98 H LYS 12 HN LYS 12 75.977 -3.123 -0.472 99 HA LYS 12 HA LYS 12 74.285 -0.646 -0.392 100 1HB LYS 12 HB2 LYS 12 73.687 -3.547 -0.513 101 2HB LYS 12 HB1 LYS 12 72.709 -2.659 0.652 102 1HG LYS 12 HG2 LYS 12 71.867 -1.186 -1.023 103 2HG LYS 12 HG1 LYS 12 73.077 -1.714 -2.202 104 1HD LYS 12 HD2 LYS 12 72.062 -3.995 -2.146 105 2HD LYS 12 HD1 LYS 12 70.818 -3.379 -1.066 106 1HE LYS 12 HE2 LYS 12 69.901 -1.985 -2.722 107 2HE LYS 12 HE1 LYS 12 71.340 -2.083 -3.730 108 1HZ LYS 12 HZ1 LYS 12 70.229 -4.654 -3.211 109 2HZ LYS 12 HZ2 LYS 12 70.593 -3.917 -4.698 110 3HZ LYS 12 HZ3 LYS 12 69.095 -3.631 -3.948 111 H GLU 13 HN GLU 13 73.597 0.130 1.577 112 HA GLU 13 HA GLU 13 75.055 -0.945 3.978 113 1HB GLU 13 HB2 GLU 13 74.247 1.917 3.399 114 2HB GLU 13 HB1 GLU 13 75.156 1.350 4.799 115 1HG GLU 13 HG2 GLU 13 76.918 0.494 3.223 116 2HG GLU 13 HG1 GLU 13 76.045 1.273 1.905 117 H LYS 14 HN LYS 14 73.936 -0.552 6.016 118 HA LYS 14 HA LYS 14 70.963 -0.693 5.717 119 1HB LYS 14 HB2 LYS 14 72.507 -1.480 8.195 120 2HB LYS 14 HB1 LYS 14 70.919 -2.028 7.670 121 1HG LYS 14 HG2 LYS 14 73.533 -2.686 6.265 122 2HG LYS 14 HG1 LYS 14 72.693 -3.764 7.366 123 1HD LYS 14 HD2 LYS 14 71.569 -2.686 4.753 124 2HD LYS 14 HD1 LYS 14 72.180 -4.317 5.018 125 1HE LYS 14 HE2 LYS 14 69.642 -3.067 6.017 126 2HE LYS 14 HE1 LYS 14 69.907 -4.675 5.348 127 1HZ LYS 14 HZ1 LYS 14 69.661 -5.145 7.552 128 2HZ LYS 14 HZ2 LYS 14 70.381 -3.698 8.072 129 3HZ LYS 14 HZ3 LYS 14 71.345 -4.962 7.474 130 H MET 15 HN MET 15 70.364 1.443 5.852 131 HA MET 15 HA MET 15 71.611 3.333 7.622 132 1HB MET 15 HB2 MET 15 69.463 3.278 5.643 133 2HB MET 15 HB1 MET 15 69.017 4.281 7.005 134 1HG MET 15 HG2 MET 15 70.207 5.531 5.190 135 2HG MET 15 HG1 MET 15 71.030 5.624 6.744 136 1HE MET 15 HE1 MET 15 74.247 5.528 4.962 137 2HE MET 15 HE2 MET 15 73.660 5.532 6.623 138 3HE MET 15 HE3 MET 15 72.874 6.547 5.417 139 H LYS 16 HN LYS 16 70.783 4.216 9.555 140 HA LYS 16 HA LYS 16 70.304 3.449 11.817 141 1HB LYS 16 HB2 LYS 16 67.577 4.242 10.851 142 2HB LYS 16 HB1 LYS 16 68.360 4.607 12.377 143 1HG LYS 16 HG2 LYS 16 68.525 6.633 11.212 144 2HG LYS 16 HG1 LYS 16 70.104 5.897 10.972 145 1HD LYS 16 HD2 LYS 16 69.782 5.627 8.716 146 2HD LYS 16 HD1 LYS 16 68.090 5.167 8.897 147 1HE LYS 16 HE2 LYS 16 69.220 7.983 9.003 148 2HE LYS 16 HE1 LYS 16 68.237 7.295 7.712 149 1HZ LYS 16 HZ1 LYS 16 67.430 7.912 10.491 150 2HZ LYS 16 HZ2 LYS 16 66.512 6.893 9.488 151 3HZ LYS 16 HZ3 LYS 16 66.770 8.514 9.050 152 H GLY 17 HN GLY 17 67.270 2.591 10.193 153 1HA GLY 17 HA2 GLY 17 67.632 -0.241 10.921 154 2HA GLY 17 HA1 GLY 17 66.341 0.609 11.772 155 H LYS 18 HN LYS 18 66.684 1.978 8.703 156 HA LYS 18 HA LYS 18 64.132 1.247 7.792 157 1HB LYS 18 HB2 LYS 18 66.121 1.358 5.577 158 2HB LYS 18 HB1 LYS 18 64.678 2.334 5.847 159 1HG LYS 18 HG2 LYS 18 67.344 2.664 7.205 160 2HG LYS 18 HG1 LYS 18 66.660 3.729 5.986 161 1HD LYS 18 HD2 LYS 18 64.682 3.509 8.051 162 2HD LYS 18 HD1 LYS 18 66.218 3.757 8.869 163 1HE LYS 18 HE2 LYS 18 65.376 5.939 8.467 164 2HE LYS 18 HE1 LYS 18 66.588 5.701 7.209 165 1HZ LYS 18 HZ1 LYS 18 65.047 5.755 5.620 166 2HZ LYS 18 HZ2 LYS 18 64.017 6.426 6.792 167 3HZ LYS 18 HZ3 LYS 18 63.976 4.757 6.478 168 H ASN 19 HN ASN 19 63.245 -0.677 7.207 169 HA ASN 19 HA ASN 19 64.752 -3.110 7.149 170 1HB ASN 19 HB2 ASN 19 62.022 -2.310 6.164 171 2HB ASN 19 HB1 ASN 19 62.652 -3.916 5.819 172 1HD2 ASN 19 HD21 ASN 19 60.950 -2.106 8.142 173 2HD2 ASN 19 HD22 ASN 19 61.127 -3.166 9.455 174 H LYS 20 HN LYS 20 64.654 -0.516 5.120 175 HA LYS 20 HA LYS 20 65.045 -1.911 2.580 176 1HB LYS 20 HB2 LYS 20 64.534 0.809 3.498 177 2HB LYS 20 HB1 LYS 20 65.810 0.796 2.296 178 1HG LYS 20 HG2 LYS 20 63.782 1.050 1.085 179 2HG LYS 20 HG1 LYS 20 64.263 -0.620 0.853 180 1HD LYS 20 HD2 LYS 20 62.007 -0.888 1.399 181 2HD LYS 20 HD1 LYS 20 62.760 -1.063 2.981 182 1HE LYS 20 HE2 LYS 20 62.253 1.248 3.540 183 2HE LYS 20 HE1 LYS 20 61.671 1.559 1.904 184 1HZ LYS 20 HZ1 LYS 20 60.464 -0.210 3.951 185 2HZ LYS 20 HZ2 LYS 20 59.999 -0.235 2.317 186 3HZ LYS 20 HZ3 LYS 20 59.786 1.174 3.243 187 H LEU 21 HN LEU 21 67.025 -0.675 1.367 188 HA LEU 21 HA LEU 21 69.490 -0.930 3.041 189 1HB LEU 21 HB2 LEU 21 69.427 -1.965 0.191 190 2HB LEU 21 HB1 LEU 21 70.575 -2.331 1.472 191 HG LEU 21 HG LEU 21 67.671 -3.174 1.651 192 1HD1 LEU 21 HD11 LEU 21 68.706 -4.124 -0.402 193 2HD1 LEU 21 HD12 LEU 21 68.336 -5.356 0.804 194 3HD1 LEU 21 HD13 LEU 21 69.996 -4.799 0.595 195 1HD2 LEU 21 HD21 LEU 21 70.184 -4.293 2.918 196 2HD2 LEU 21 HD22 LEU 21 68.518 -4.728 3.301 197 3HD2 LEU 21 HD23 LEU 21 69.127 -3.126 3.710 198 H VAL 22 HN VAL 22 71.304 0.314 2.078 199 HA VAL 22 HA VAL 22 70.306 2.458 0.213 200 HB VAL 22 HB VAL 22 72.161 2.601 2.586 201 1HG1 VAL 22 HG11 VAL 22 71.740 4.565 0.321 202 2HG1 VAL 22 HG12 VAL 22 73.266 3.936 0.943 203 3HG1 VAL 22 HG13 VAL 22 72.323 5.071 1.907 204 1HG2 VAL 22 HG21 VAL 22 69.860 2.841 3.200 205 2HG2 VAL 22 HG22 VAL 22 69.525 3.887 1.821 206 3HG2 VAL 22 HG23 VAL 22 70.522 4.472 3.145 207 HA PRO 23 HA PRO 23 73.652 0.562 -2.267 208 1HB PRO 23 HB2 PRO 23 73.107 2.755 -4.160 209 2HB PRO 23 HB1 PRO 23 73.011 1.029 -4.434 210 1HG PRO 23 HG2 PRO 23 70.809 2.722 -4.216 211 2HG PRO 23 HG1 PRO 23 70.755 0.971 -3.949 212 1HD PRO 23 HD2 PRO 23 70.607 3.154 -1.957 213 2HD PRO 23 HD1 PRO 23 70.128 1.446 -1.796 214 H ARG 24 HN ARG 24 75.808 1.228 -2.654 215 HA ARG 24 HA ARG 24 76.586 4.044 -2.247 216 1HB ARG 24 HB2 ARG 24 76.411 2.984 0.065 217 2HB ARG 24 HB1 ARG 24 77.707 1.901 -0.421 218 1HG ARG 24 HG2 ARG 24 78.939 3.596 0.594 219 2HG ARG 24 HG1 ARG 24 78.947 4.153 -1.078 220 1HD ARG 24 HD2 ARG 24 78.286 6.088 0.051 221 2HD ARG 24 HD1 ARG 24 76.719 5.387 -0.355 222 HE ARG 24 HE ARG 24 77.280 4.306 2.121 223 1HH1 ARG 24 HH21 ARG 24 77.219 7.463 0.740 224 2HH1 ARG 24 HH22 ARG 24 76.755 8.245 2.214 225 1HH2 ARG 24 HH11 ARG 24 76.674 5.308 4.057 226 2HH2 ARG 24 HH12 ARG 24 76.447 7.025 4.093 227 H LEU 25 HN LEU 25 78.660 4.442 -3.151 228 HA LEU 25 HA LEU 25 79.834 2.141 -4.670 229 1HB LEU 25 HB2 LEU 25 79.958 5.131 -5.062 230 2HB LEU 25 HB1 LEU 25 80.940 4.011 -5.990 231 HG LEU 25 HG LEU 25 77.921 3.805 -5.845 232 1HD1 LEU 25 HD11 LEU 25 79.531 5.165 -8.025 233 2HD1 LEU 25 HD12 LEU 25 78.681 6.044 -6.756 234 3HD1 LEU 25 HD13 LEU 25 77.776 5.062 -7.907 235 1HD2 LEU 25 HD21 LEU 25 80.078 2.627 -7.614 236 2HD2 LEU 25 HD22 LEU 25 78.398 2.698 -8.140 237 3HD2 LEU 25 HD23 LEU 25 78.828 1.786 -6.701 238 H LEU 26 HN LEU 26 81.997 1.620 -4.306 239 HA LEU 26 HA LEU 26 83.443 3.196 -2.201 240 1HB LEU 26 HB2 LEU 26 82.498 0.962 -1.455 241 2HB LEU 26 HB1 LEU 26 83.574 0.202 -2.618 242 HG LEU 26 HG LEU 26 85.496 1.423 -1.470 243 1HD1 LEU 26 HD11 LEU 26 84.530 3.124 -0.171 244 2HD1 LEU 26 HD12 LEU 26 84.861 1.891 1.037 245 3HD1 LEU 26 HD13 LEU 26 83.228 2.089 0.407 246 1HD2 LEU 26 HD21 LEU 26 85.676 -0.266 0.271 247 2HD2 LEU 26 HD22 LEU 26 84.911 -1.000 -1.138 248 3HD2 LEU 26 HD23 LEU 26 83.932 -0.527 0.250 249 H GLY 27 HN GLY 27 85.001 4.216 -3.311 250 1HA GLY 27 HA2 GLY 27 86.324 3.075 -5.634 251 2HA GLY 27 HA1 GLY 27 86.661 4.638 -4.923 252 H ILE 28 HN ILE 28 88.036 1.719 -5.495 253 HA ILE 28 HA ILE 28 89.608 1.652 -2.956 254 HB ILE 28 HB ILE 28 89.890 -0.248 -5.300 255 1HG1 ILE 28 HG12 ILE 28 87.545 -0.342 -4.734 256 2HG1 ILE 28 HG11 ILE 28 88.319 -1.740 -3.990 257 1HG2 ILE 28 HG21 ILE 28 91.649 -0.325 -3.612 258 2HG2 ILE 28 HG22 ILE 28 90.645 -1.769 -3.477 259 3HG2 ILE 28 HG23 ILE 28 90.447 -0.446 -2.328 260 1HD1 ILE 28 HD11 ILE 28 87.409 0.813 -2.667 261 2HD1 ILE 28 HD12 ILE 28 88.558 -0.275 -1.889 262 3HD1 ILE 28 HD13 ILE 28 86.939 -0.842 -2.289 263 H THR 29 HN THR 29 91.316 3.055 -3.005 264 HA THR 29 HA THR 29 92.636 3.637 -5.603 265 HB THR 29 HB THR 29 93.489 4.893 -3.001 266 HG1 THR 29 HG1 THR 29 91.006 4.770 -3.626 267 1HG2 THR 29 HG21 THR 29 93.097 5.924 -5.826 268 2HG2 THR 29 HG22 THR 29 94.639 5.482 -5.093 269 3HG2 THR 29 HG23 THR 29 93.734 6.864 -4.476 270 H LYS 30 HN LYS 30 95.098 3.731 -5.508 271 HA LYS 30 HA LYS 30 96.086 1.151 -4.649 272 1HB LYS 30 HB2 LYS 30 98.329 2.237 -5.398 273 2HB LYS 30 HB1 LYS 30 97.085 1.967 -6.619 274 1HG LYS 30 HG2 LYS 30 96.407 4.241 -6.596 275 2HG LYS 30 HG1 LYS 30 97.272 4.573 -5.100 276 1HD LYS 30 HD2 LYS 30 98.568 5.495 -6.917 277 2HD LYS 30 HD1 LYS 30 99.422 4.074 -6.321 278 1HE LYS 30 HE2 LYS 30 98.691 2.735 -8.149 279 2HE LYS 30 HE1 LYS 30 97.472 3.917 -8.627 280 1HZ LYS 30 HZ1 LYS 30 99.238 4.222 -10.105 281 2HZ LYS 30 HZ2 LYS 30 100.413 4.107 -8.883 282 3HZ LYS 30 HZ3 LYS 30 99.415 5.479 -8.981 283 H GLU 31 HN GLU 31 95.643 4.068 -3.036 284 HA GLU 31 HA GLU 31 97.490 3.198 -0.856 285 1HB GLU 31 HB2 GLU 31 97.245 5.993 -1.992 286 2HB GLU 31 HB1 GLU 31 98.119 5.589 -0.518 287 1HG GLU 31 HG2 GLU 31 99.397 3.893 -2.006 288 2HG GLU 31 HG1 GLU 31 98.757 4.821 -3.352 289 H CYS 32 HN CYS 32 94.369 3.760 -1.648 290 HA CYS 32 HA CYS 32 93.560 4.027 1.105 291 1HB CYS 32 HB2 CYS 32 92.343 6.353 0.469 292 2HB CYS 32 HB1 CYS 32 93.953 6.309 1.167 293 HG CYS 32 HG CYS 32 93.421 7.515 -1.431 294 H VAL 33 HN VAL 33 91.214 4.119 1.341 295 HA VAL 33 HA VAL 33 89.772 3.057 -1.069 296 HB VAL 33 HB VAL 33 89.141 2.841 1.897 297 1HG1 VAL 33 HG11 VAL 33 87.715 1.829 -0.572 298 2HG1 VAL 33 HG12 VAL 33 87.072 2.881 0.689 299 3HG1 VAL 33 HG13 VAL 33 87.413 1.187 1.043 300 1HG2 VAL 33 HG21 VAL 33 89.798 0.553 1.726 301 2HG2 VAL 33 HG22 VAL 33 91.079 1.473 0.937 302 3HG2 VAL 33 HG23 VAL 33 89.871 0.631 -0.035 303 H MET 34 HN MET 34 88.142 4.379 -1.906 304 HA MET 34 HA MET 34 87.577 6.899 -0.405 305 1HB MET 34 HB2 MET 34 86.705 6.431 -3.231 306 2HB MET 34 HB1 MET 34 87.172 7.935 -2.441 307 1HG MET 34 HG2 MET 34 89.521 6.950 -2.255 308 2HG MET 34 HG1 MET 34 88.975 5.687 -3.356 309 1HE MET 34 HE1 MET 34 88.883 9.513 -2.776 310 2HE MET 34 HE2 MET 34 89.787 10.095 -4.171 311 3HE MET 34 HE3 MET 34 90.571 9.035 -3.002 312 H ARG 35 HN ARG 35 85.543 7.437 0.292 313 HA ARG 35 HA ARG 35 83.432 5.338 -0.042 314 1HB ARG 35 HB2 ARG 35 83.685 7.798 1.707 315 2HB ARG 35 HB1 ARG 35 82.169 6.925 1.553 316 1HG ARG 35 HG2 ARG 35 83.668 4.824 2.181 317 2HG ARG 35 HG1 ARG 35 84.745 6.053 2.847 318 1HD ARG 35 HD2 ARG 35 82.020 5.220 3.759 319 2HD ARG 35 HD1 ARG 35 83.413 5.723 4.713 320 HE ARG 35 HE ARG 35 82.646 8.040 3.406 321 1HH1 ARG 35 HH21 ARG 35 81.120 5.644 5.361 322 2HH1 ARG 35 HH22 ARG 35 79.968 6.742 6.043 323 1HH2 ARG 35 HH11 ARG 35 81.152 9.488 4.289 324 2HH2 ARG 35 HH12 ARG 35 79.986 8.919 5.436 325 H VAL 36 HN VAL 36 82.047 5.624 -1.737 326 HA VAL 36 HA VAL 36 81.487 8.425 -2.631 327 HB VAL 36 HB VAL 36 81.900 5.972 -4.349 328 1HG1 VAL 36 HG11 VAL 36 81.665 7.605 -6.234 329 2HG1 VAL 36 HG12 VAL 36 81.202 8.839 -5.063 330 3HG1 VAL 36 HG13 VAL 36 80.175 7.429 -5.310 331 1HG2 VAL 36 HG21 VAL 36 83.931 6.962 -5.056 332 2HG2 VAL 36 HG22 VAL 36 83.928 7.181 -3.307 333 3HG2 VAL 36 HG23 VAL 36 83.506 8.526 -4.366 334 H ASP 37 HN ASP 37 79.386 8.923 -2.661 335 HA ASP 37 HA ASP 37 77.374 7.001 -1.899 336 1HB ASP 37 HB2 ASP 37 77.349 9.563 -1.544 337 2HB ASP 37 HB1 ASP 37 76.824 9.666 -3.224 338 H GLU 38 HN GLU 38 75.714 6.121 -3.210 339 HA GLU 38 HA GLU 38 76.487 5.748 -6.036 340 1HB GLU 38 HB2 GLU 38 75.643 3.937 -4.377 341 2HB GLU 38 HB1 GLU 38 74.059 4.640 -4.653 342 1HG GLU 38 HG2 GLU 38 75.847 3.693 -6.902 343 2HG GLU 38 HG1 GLU 38 74.645 2.664 -6.123 344 H LYS 39 HN LYS 39 74.428 7.517 -4.058 345 HA LYS 39 HA LYS 39 72.381 8.174 -5.988 346 1HB LYS 39 HB2 LYS 39 72.046 8.200 -3.531 347 2HB LYS 39 HB1 LYS 39 73.189 9.530 -3.418 348 1HG LYS 39 HG2 LYS 39 71.745 10.912 -4.865 349 2HG LYS 39 HG1 LYS 39 70.592 9.581 -4.981 350 1HD LYS 39 HD2 LYS 39 70.296 9.646 -2.520 351 2HD LYS 39 HD1 LYS 39 71.410 11.012 -2.436 352 1HE LYS 39 HE2 LYS 39 69.931 12.425 -3.664 353 2HE LYS 39 HE1 LYS 39 68.926 11.063 -4.160 354 1HZ LYS 39 HZ1 LYS 39 68.307 10.730 -1.846 355 2HZ LYS 39 HZ2 LYS 39 67.898 12.295 -2.364 356 3HZ LYS 39 HZ3 LYS 39 69.261 12.052 -1.380 357 H THR 40 HN THR 40 75.095 9.949 -4.530 358 HA THR 40 HA THR 40 74.888 11.995 -6.692 359 HB THR 40 HB THR 40 76.707 12.194 -4.292 360 HG1 THR 40 HG1 THR 40 74.498 13.445 -3.745 361 1HG2 THR 40 HG21 THR 40 76.360 14.568 -4.613 362 2HG2 THR 40 HG22 THR 40 75.106 14.265 -5.816 363 3HG2 THR 40 HG23 THR 40 76.784 13.861 -6.171 364 H LYS 41 HN LYS 41 76.650 9.168 -6.048 365 HA LYS 41 HA LYS 41 78.728 8.400 -6.886 366 1HB LYS 41 HB2 LYS 41 78.200 10.503 -8.998 367 2HB LYS 41 HB1 LYS 41 79.207 9.065 -9.166 368 1HG LYS 41 HG2 LYS 41 77.126 7.698 -8.614 369 2HG LYS 41 HG1 LYS 41 76.204 9.185 -8.808 370 1HD LYS 41 HD2 LYS 41 78.068 8.179 -10.969 371 2HD LYS 41 HD1 LYS 41 76.392 7.649 -10.865 372 1HE LYS 41 HE2 LYS 41 77.345 10.513 -11.159 373 2HE LYS 41 HE1 LYS 41 76.544 9.544 -12.394 374 1HZ LYS 41 HZ1 LYS 41 74.906 10.906 -11.398 375 2HZ LYS 41 HZ2 LYS 41 75.405 10.495 -9.827 376 3HZ LYS 41 HZ3 LYS 41 74.646 9.336 -10.810 377 H GLU 42 HN GLU 42 78.572 10.941 -5.136 378 HA GLU 42 HA GLU 42 81.149 12.229 -5.933 379 1HB GLU 42 HB2 GLU 42 78.757 13.286 -4.954 380 2HB GLU 42 HB1 GLU 42 79.804 13.309 -3.543 381 1HG GLU 42 HG2 GLU 42 80.073 15.403 -4.720 382 2HG GLU 42 HG1 GLU 42 81.540 14.457 -4.945 383 H VAL 43 HN VAL 43 82.810 12.484 -4.265 384 HA VAL 43 HA VAL 43 83.135 10.071 -2.655 385 HB VAL 43 HB VAL 43 84.812 12.559 -3.045 386 1HG1 VAL 43 HG11 VAL 43 86.576 11.213 -1.767 387 2HG1 VAL 43 HG12 VAL 43 85.247 10.208 -1.190 388 3HG1 VAL 43 HG13 VAL 43 85.292 11.925 -0.791 389 1HG2 VAL 43 HG21 VAL 43 84.623 10.734 -4.822 390 2HG2 VAL 43 HG22 VAL 43 85.423 9.664 -3.670 391 3HG2 VAL 43 HG23 VAL 43 86.257 11.097 -4.267 392 H ILE 44 HN ILE 44 82.493 9.821 -0.589 393 HA ILE 44 HA ILE 44 81.611 12.229 0.933 394 HB ILE 44 HB ILE 44 81.037 9.337 1.579 395 1HG1 ILE 44 HG12 ILE 44 80.162 9.718 -0.647 396 2HG1 ILE 44 HG11 ILE 44 78.810 9.789 0.480 397 1HG2 ILE 44 HG21 ILE 44 79.683 11.947 2.319 398 2HG2 ILE 44 HG22 ILE 44 80.706 10.982 3.383 399 3HG2 ILE 44 HG23 ILE 44 79.159 10.342 2.829 400 1HD1 ILE 44 HD11 ILE 44 78.474 11.669 -0.900 401 2HD1 ILE 44 HD12 ILE 44 80.191 12.057 -0.945 402 3HD1 ILE 44 HD13 ILE 44 79.261 12.352 0.521 403 H GLN 45 HN GLN 45 83.966 9.659 0.905 404 HA GLN 45 HA GLN 45 85.436 10.901 3.061 405 1HB GLN 45 HB2 GLN 45 83.443 9.507 4.129 406 2HB GLN 45 HB1 GLN 45 84.506 8.143 3.818 407 1HG GLN 45 HG2 GLN 45 85.293 8.687 5.914 408 2HG GLN 45 HG1 GLN 45 86.312 9.773 4.978 409 1HE2 GLN 45 HE21 GLN 45 86.450 11.529 6.440 410 2HE2 GLN 45 HE22 GLN 45 85.103 12.412 6.968 411 H GLU 46 HN GLU 46 87.386 9.574 3.617 412 HA GLU 46 HA GLU 46 88.139 7.534 1.633 413 1HB GLU 46 HB2 GLU 46 89.430 10.218 2.016 414 2HB GLU 46 HB1 GLU 46 90.432 8.848 1.539 415 1HG GLU 46 HG2 GLU 46 89.243 8.532 -0.481 416 2HG GLU 46 HG1 GLU 46 87.892 9.531 0.056 417 H TRP 47 HN TRP 47 90.042 6.294 2.283 418 HA TRP 47 HA TRP 47 90.833 6.582 5.138 419 1HB TRP 47 HB2 TRP 47 89.779 4.072 3.817 420 2HB TRP 47 HB1 TRP 47 90.663 4.058 5.333 421 HD1 TRP 47 HD1 TRP 47 89.376 6.459 6.866 422 HE1 TRP 47 HE1 TRP 47 86.911 6.379 7.597 423 HE3 TRP 47 HE3 TRP 47 87.595 2.904 3.650 424 HZ2 TRP 47 HZ2 TRP 47 84.518 5.000 6.936 425 HZ3 TRP 47 HZ3 TRP 47 85.214 2.225 3.733 426 HH2 TRP 47 HH2 TRP 47 83.672 3.267 5.371 427 H SER 48 HN SER 48 92.898 5.602 5.595 428 HA SER 48 HA SER 48 94.648 5.516 3.229 429 1HB SER 48 HB2 SER 48 95.116 5.488 6.194 430 2HB SER 48 HB1 SER 48 96.421 5.117 5.074 431 HG SER 48 HG SER 48 96.336 7.343 5.565 432 H LEU 49 HN LEU 49 95.644 3.673 2.437 433 HA LEU 49 HA LEU 49 94.442 1.128 3.012 434 1HB LEU 49 HB2 LEU 49 96.396 2.245 1.142 435 2HB LEU 49 HB1 LEU 49 96.923 0.661 1.696 436 HG LEU 49 HG LEU 49 94.101 1.126 0.720 437 1HD1 LEU 49 HD11 LEU 49 96.590 0.504 -0.884 438 2HD1 LEU 49 HD12 LEU 49 95.431 1.806 -1.149 439 3HD1 LEU 49 HD13 LEU 49 94.966 0.135 -1.465 440 1HD2 LEU 49 HD21 LEU 49 95.796 -1.377 0.603 441 2HD2 LEU 49 HD22 LEU 49 94.041 -1.240 0.508 442 3HD2 LEU 49 HD23 LEU 49 94.864 -0.958 2.040 443 H THR 50 HN THR 50 97.261 2.799 4.229 444 HA THR 50 HA THR 50 98.405 0.435 5.486 445 HB THR 50 HB THR 50 99.077 3.268 6.244 446 HG1 THR 50 HG1 THR 50 100.648 2.835 4.371 447 1HG2 THR 50 HG21 THR 50 100.115 1.125 7.278 448 2HG2 THR 50 HG22 THR 50 101.208 2.397 6.732 449 3HG2 THR 50 HG23 THR 50 100.950 0.968 5.732 450 H ASN 51 HN ASN 51 95.733 2.300 6.194 451 HA ASN 51 HA ASN 51 96.058 2.107 9.151 452 1HB ASN 51 HB2 ASN 51 94.082 3.512 7.348 453 2HB ASN 51 HB1 ASN 51 93.779 3.320 9.075 454 1HD2 ASN 51 HD21 ASN 51 93.984 5.696 9.340 455 2HD2 ASN 51 HD22 ASN 51 95.516 6.427 9.330 456 H ILE 52 HN ILE 52 94.866 0.225 6.632 457 HA ILE 52 HA ILE 52 92.519 -0.829 8.023 458 HB ILE 52 HB ILE 52 94.057 -1.823 5.605 459 1HG1 ILE 52 HG12 ILE 52 91.351 -0.460 5.816 460 2HG1 ILE 52 HG11 ILE 52 92.847 0.386 5.424 461 1HG2 ILE 52 HG21 ILE 52 92.951 -3.725 6.550 462 2HG2 ILE 52 HG22 ILE 52 91.909 -3.163 5.244 463 3HG2 ILE 52 HG23 ILE 52 91.505 -2.785 6.919 464 1HD1 ILE 52 HD11 ILE 52 91.898 -0.098 3.312 465 2HD1 ILE 52 HD12 ILE 52 91.404 -1.716 3.809 466 3HD1 ILE 52 HD13 ILE 52 93.108 -1.362 3.530 467 H LYS 53 HN LYS 53 92.608 -2.304 9.637 468 HA LYS 53 HA LYS 53 95.149 -3.636 10.276 469 1HB LYS 53 HB2 LYS 53 93.732 -2.783 12.098 470 2HB LYS 53 HB1 LYS 53 92.407 -3.819 11.568 471 1HG LYS 53 HG2 LYS 53 93.675 -5.815 12.077 472 2HG LYS 53 HG1 LYS 53 95.122 -4.864 12.413 473 1HD LYS 53 HD2 LYS 53 94.156 -3.912 14.379 474 2HD LYS 53 HD1 LYS 53 92.547 -4.497 13.954 475 1HE LYS 53 HE2 LYS 53 93.189 -6.784 14.337 476 2HE LYS 53 HE1 LYS 53 94.888 -6.339 14.497 477 1HZ LYS 53 HZ1 LYS 53 92.777 -5.297 16.295 478 2HZ LYS 53 HZ2 LYS 53 94.460 -5.218 16.508 479 3HZ LYS 53 HZ3 LYS 53 93.654 -6.709 16.631 480 H ARG 54 HN ARG 54 91.826 -4.683 9.472 481 HA ARG 54 HA ARG 54 92.800 -6.834 7.809 482 1HB ARG 54 HB2 ARG 54 91.714 -8.674 9.210 483 2HB ARG 54 HB1 ARG 54 93.252 -8.055 9.788 484 1HG ARG 54 HG2 ARG 54 92.121 -7.927 11.785 485 2HG ARG 54 HG1 ARG 54 91.582 -6.388 11.147 486 1HD ARG 54 HD2 ARG 54 89.582 -7.591 10.176 487 2HD ARG 54 HD1 ARG 54 90.097 -9.034 11.040 488 HE ARG 54 HE ARG 54 88.638 -6.791 12.119 489 1HH1 ARG 54 HH21 ARG 54 91.223 -8.943 12.913 490 2HH1 ARG 54 HH22 ARG 54 91.155 -8.587 14.605 491 1HH2 ARG 54 HH11 ARG 54 88.537 -6.345 14.308 492 2HH2 ARG 54 HH12 ARG 54 89.638 -7.126 15.393 493 H TRP 55 HN TRP 55 90.835 -8.288 7.177 494 HA TRP 55 HA TRP 55 88.252 -6.833 7.377 495 1HB TRP 55 HB2 TRP 55 87.971 -6.891 4.907 496 2HB TRP 55 HB1 TRP 55 89.313 -5.857 5.395 497 HD1 TRP 55 HD1 TRP 55 88.548 -9.220 3.761 498 HE1 TRP 55 HE1 TRP 55 90.685 -10.089 2.602 499 HE3 TRP 55 HE3 TRP 55 91.919 -5.747 5.395 500 HZ2 TRP 55 HZ2 TRP 55 93.442 -9.394 2.385 501 HZ3 TRP 55 HZ3 TRP 55 94.292 -5.878 4.693 502 HH2 TRP 55 HH2 TRP 55 95.050 -7.699 3.190 503 H ALA 56 HN ALA 56 86.539 -8.149 6.126 504 HA ALA 56 HA ALA 56 87.156 -11.059 6.038 505 1HB ALA 56 HB1 ALA 56 85.241 -9.708 7.928 506 2HB ALA 56 HB2 ALA 56 86.326 -11.065 8.225 507 3HB ALA 56 HB3 ALA 56 84.842 -11.311 7.308 508 H ALA 57 HN ALA 57 86.449 -11.645 4.049 509 HA ALA 57 HA ALA 57 84.224 -10.115 2.787 510 1HB ALA 57 HB1 ALA 57 84.956 -11.413 0.734 511 2HB ALA 57 HB2 ALA 57 86.291 -12.039 1.701 512 3HB ALA 57 HB3 ALA 57 86.162 -10.308 1.392 513 H SER 58 HN SER 58 82.261 -10.974 3.317 514 HA SER 58 HA SER 58 81.978 -13.887 3.648 515 1HB SER 58 HB2 SER 58 80.522 -11.492 4.507 516 2HB SER 58 HB1 SER 58 79.437 -12.742 3.910 517 HG SER 58 HG SER 58 79.825 -13.799 5.672 518 HA PRO 59 HA PRO 59 80.404 -14.714 -0.367 519 1HB PRO 59 HB2 PRO 59 77.914 -15.961 0.348 520 2HB PRO 59 HB1 PRO 59 79.449 -16.767 -0.004 521 1HG PRO 59 HG2 PRO 59 78.169 -16.294 2.613 522 2HG PRO 59 HG1 PRO 59 79.490 -17.401 2.205 523 1HD PRO 59 HD2 PRO 59 79.761 -15.000 3.649 524 2HD PRO 59 HD1 PRO 59 81.089 -15.887 2.875 525 H LYS 60 HN LYS 60 78.791 -12.673 1.818 526 HA LYS 60 HA LYS 60 77.161 -11.507 -0.402 527 1HB LYS 60 HB2 LYS 60 75.283 -11.238 1.128 528 2HB LYS 60 HB1 LYS 60 75.738 -12.933 1.052 529 1HG LYS 60 HG2 LYS 60 77.294 -12.289 3.102 530 2HG LYS 60 HG1 LYS 60 76.129 -10.983 3.280 531 1HD LYS 60 HD2 LYS 60 75.103 -12.618 4.566 532 2HD LYS 60 HD1 LYS 60 74.363 -12.951 3.011 533 1HE LYS 60 HE2 LYS 60 76.114 -14.670 2.579 534 2HE LYS 60 HE1 LYS 60 76.765 -14.374 4.191 535 1HZ LYS 60 HZ1 LYS 60 74.319 -14.813 4.900 536 2HZ LYS 60 HZ2 LYS 60 75.356 -16.120 4.578 537 3HZ LYS 60 HZ3 LYS 60 74.223 -15.623 3.413 538 H SER 61 HN SER 61 78.763 -11.054 2.716 539 HA SER 61 HA SER 61 78.648 -8.080 2.274 540 1HB SER 61 HB2 SER 61 77.370 -8.561 4.227 541 2HB SER 61 HB1 SER 61 78.574 -9.700 4.820 542 HG SER 61 HG SER 61 80.023 -7.792 4.798 543 H PHE 62 HN PHE 62 80.435 -6.901 3.346 544 HA PHE 62 HA PHE 62 82.970 -8.370 3.688 545 1HB PHE 62 HB2 PHE 62 83.217 -8.046 1.382 546 2HB PHE 62 HB1 PHE 62 82.344 -6.524 1.399 547 HD1 PHE 62 HD1 PHE 62 85.533 -8.149 2.461 548 HD2 PHE 62 HD2 PHE 62 83.504 -4.469 1.582 549 HE1 PHE 62 HE1 PHE 62 87.690 -6.931 2.583 550 HE2 PHE 62 HE2 PHE 62 85.657 -3.251 1.701 551 HZ PHE 62 HZ PHE 62 87.753 -4.481 2.204 552 H THR 63 HN THR 63 84.284 -7.273 5.188 553 HA THR 63 HA THR 63 83.609 -4.433 5.798 554 HB THR 63 HB THR 63 82.310 -6.041 7.306 555 HG1 THR 63 HG1 THR 63 83.879 -3.898 7.947 556 1HG2 THR 63 HG21 THR 63 84.381 -7.572 7.519 557 2HG2 THR 63 HG22 THR 63 83.446 -7.260 8.981 558 3HG2 THR 63 HG23 THR 63 84.960 -6.400 8.704 559 H LEU 64 HN LEU 64 85.259 -3.262 6.776 560 HA LEU 64 HA LEU 64 87.947 -4.600 6.820 561 1HB LEU 64 HB2 LEU 64 88.510 -1.894 6.608 562 2HB LEU 64 HB1 LEU 64 88.500 -3.020 5.257 563 HG LEU 64 HG LEU 64 85.908 -1.733 6.098 564 1HD1 LEU 64 HD11 LEU 64 86.452 0.065 4.369 565 2HD1 LEU 64 HD12 LEU 64 88.134 -0.445 4.514 566 3HD1 LEU 64 HD13 LEU 64 87.285 0.202 5.916 567 1HD2 LEU 64 HD21 LEU 64 85.453 -1.958 3.670 568 2HD2 LEU 64 HD22 LEU 64 85.898 -3.510 4.377 569 3HD2 LEU 64 HD23 LEU 64 87.078 -2.601 3.436 570 H ASP 65 HN ASP 65 89.459 -3.588 8.416 571 HA ASP 65 HA ASP 65 88.022 -2.443 10.792 572 1HB ASP 65 HB2 ASP 65 88.419 -4.820 11.213 573 2HB ASP 65 HB1 ASP 65 90.117 -4.630 10.782 574 H PHE 66 HN PHE 66 88.893 -0.516 11.269 575 HA PHE 66 HA PHE 66 91.675 0.099 10.396 576 1HB PHE 66 HB2 PHE 66 89.439 1.838 11.482 577 2HB PHE 66 HB1 PHE 66 91.036 2.436 11.037 578 HD1 PHE 66 HD1 PHE 66 91.867 1.803 8.622 579 HD2 PHE 66 HD2 PHE 66 87.751 1.771 9.852 580 HE1 PHE 66 HE1 PHE 66 91.156 1.955 6.251 581 HE2 PHE 66 HE2 PHE 66 87.040 1.925 7.483 582 HZ PHE 66 HZ PHE 66 88.744 2.018 5.681 583 H GLY 67 HN GLY 67 90.161 -1.185 13.026 584 1HA GLY 67 HA2 GLY 67 91.109 -1.671 15.151 585 2HA GLY 67 HA1 GLY 67 92.424 -0.550 14.789 586 H ASP 68 HN ASP 68 89.647 1.042 14.004 587 HA ASP 68 HA ASP 68 89.826 2.773 16.328 588 1HB ASP 68 HB2 ASP 68 87.685 3.761 15.194 589 2HB ASP 68 HB1 ASP 68 89.230 3.919 14.371 590 H TYR 69 HN TYR 69 89.286 1.352 18.096 591 HA TYR 69 HA TYR 69 87.022 -0.290 18.322 592 1HB TYR 69 HB2 TYR 69 88.713 -0.248 20.069 593 2HB TYR 69 HB1 TYR 69 88.364 1.446 20.414 594 HD1 TYR 69 HD1 TYR 69 86.606 2.061 21.883 595 HD2 TYR 69 HD2 TYR 69 86.881 -1.970 20.435 596 HE1 TYR 69 HE1 TYR 69 84.824 1.373 23.467 597 HE2 TYR 69 HE2 TYR 69 85.101 -2.662 22.018 598 HH TYR 69 HH TYR 69 83.860 -0.460 24.463 599 H GLN 70 HN GLN 70 87.359 3.183 18.851 600 HA GLN 70 HA GLN 70 84.722 3.710 19.775 601 1HB GLN 70 HB2 GLN 70 86.361 5.432 20.000 602 2HB GLN 70 HB1 GLN 70 86.753 5.388 18.289 603 1HG GLN 70 HG2 GLN 70 84.768 6.467 17.675 604 2HG GLN 70 HG1 GLN 70 83.976 6.086 19.197 605 1HE2 GLN 70 HE21 GLN 70 87.291 7.232 19.279 606 2HE2 GLN 70 HE22 GLN 70 86.944 8.784 19.872 607 H ASP 71 HN ASP 71 85.918 4.583 16.524 608 HA ASP 71 HA ASP 71 83.363 4.823 15.357 609 1HB ASP 71 HB2 ASP 71 85.653 5.532 14.429 610 2HB ASP 71 HB1 ASP 71 85.785 3.881 13.842 611 H GLY 72 HN GLY 72 85.375 2.019 15.905 612 1HA GLY 72 HA2 GLY 72 84.692 -0.249 15.941 613 2HA GLY 72 HA1 GLY 72 83.102 0.259 15.377 614 H TYR 73 HN TYR 73 83.712 -1.843 14.074 615 HA TYR 73 HA TYR 73 85.537 -1.517 11.844 616 1HB TYR 73 HB2 TYR 73 83.252 -3.489 12.001 617 2HB TYR 73 HB1 TYR 73 84.769 -3.657 11.125 618 HD1 TYR 73 HD1 TYR 73 86.944 -3.572 12.536 619 HD2 TYR 73 HD2 TYR 73 83.063 -4.379 14.168 620 HE1 TYR 73 HE1 TYR 73 88.002 -4.628 14.514 621 HE2 TYR 73 HE2 TYR 73 84.114 -5.435 16.153 622 HH TYR 73 HH TYR 73 86.013 -6.026 17.129 623 H TYR 74 HN TYR 74 84.512 -2.007 9.563 624 HA TYR 74 HA TYR 74 82.085 -0.326 9.123 625 1HB TYR 74 HB2 TYR 74 84.147 0.957 8.540 626 2HB TYR 74 HB1 TYR 74 84.609 -0.343 7.447 627 HD1 TYR 74 HD1 TYR 74 81.823 2.054 8.150 628 HD2 TYR 74 HD2 TYR 74 83.845 -0.349 5.217 629 HE1 TYR 74 HE1 TYR 74 80.434 3.063 6.362 630 HE2 TYR 74 HE2 TYR 74 82.454 0.661 3.431 631 HH TYR 74 HH TYR 74 81.004 3.304 3.506 632 H SER 75 HN SER 75 80.677 -1.888 8.510 633 HA SER 75 HA SER 75 81.537 -3.907 6.477 634 1HB SER 75 HB2 SER 75 80.981 -4.795 8.778 635 2HB SER 75 HB1 SER 75 79.335 -4.235 8.517 636 HG SER 75 HG SER 75 80.194 -6.518 7.836 637 H VAL 76 HN VAL 76 80.116 -4.398 4.813 638 HA VAL 76 HA VAL 76 77.509 -3.032 4.640 639 HB VAL 76 HB VAL 76 78.050 -2.012 2.434 640 1HG1 VAL 76 HG11 VAL 76 80.019 -1.065 4.530 641 2HG1 VAL 76 HG12 VAL 76 78.282 -0.789 4.667 642 3HG1 VAL 76 HG13 VAL 76 79.181 -0.100 3.316 643 1HG2 VAL 76 HG21 VAL 76 79.877 -3.374 1.688 644 2HG2 VAL 76 HG22 VAL 76 80.817 -3.029 3.139 645 3HG2 VAL 76 HG23 VAL 76 80.545 -1.762 1.942 646 H GLN 77 HN GLN 77 76.364 -3.797 2.577 647 HA GLN 77 HA GLN 77 76.803 -6.661 2.306 648 1HB GLN 77 HB2 GLN 77 74.820 -4.701 1.153 649 2HB GLN 77 HB1 GLN 77 74.861 -6.379 0.623 650 1HG GLN 77 HG2 GLN 77 74.643 -7.061 3.047 651 2HG GLN 77 HG1 GLN 77 74.387 -5.361 3.437 652 1HE2 GLN 77 HE21 GLN 77 72.438 -7.652 3.658 653 2HE2 GLN 77 HE22 GLN 77 71.106 -7.198 2.709 654 H THR 78 HN THR 78 77.902 -7.673 0.675 655 HA THR 78 HA THR 78 78.389 -6.257 -1.883 656 HB THR 78 HB THR 78 80.764 -6.571 -1.835 657 HG1 THR 78 HG1 THR 78 80.111 -8.379 0.039 658 1HG2 THR 78 HG21 THR 78 79.743 -4.635 -0.505 659 2HG2 THR 78 HG22 THR 78 81.411 -5.046 -0.134 660 3HG2 THR 78 HG23 THR 78 80.112 -5.573 0.938 661 H THR 79 HN THR 79 77.903 -7.693 -3.426 662 HA THR 79 HA THR 79 77.677 -10.540 -2.872 663 HB THR 79 HB THR 79 77.611 -9.014 -5.493 664 HG1 THR 79 HG1 THR 79 75.489 -10.064 -3.938 665 1HG2 THR 79 HG21 THR 79 76.333 -11.102 -6.222 666 2HG2 THR 79 HG22 THR 79 76.956 -11.870 -4.762 667 3HG2 THR 79 HG23 THR 79 78.072 -11.294 -6.000 668 H GLU 80 HN GLU 80 80.085 -8.382 -4.117 669 HA GLU 80 HA GLU 80 81.847 -10.664 -4.895 670 1HB GLU 80 HB2 GLU 80 82.027 -7.713 -5.574 671 2HB GLU 80 HB1 GLU 80 83.164 -8.950 -6.109 672 1HG GLU 80 HG2 GLU 80 81.106 -10.159 -7.092 673 2HG GLU 80 HG1 GLU 80 80.258 -8.635 -6.861 674 H GLY 81 HN GLY 81 81.292 -9.744 -2.157 675 1HA GLY 81 HA2 GLY 81 83.163 -8.103 -0.952 676 2HA GLY 81 HA1 GLY 81 82.595 -9.594 -0.204 677 H GLU 82 HN GLU 82 83.768 -11.102 -2.578 678 HA GLU 82 HA GLU 82 86.367 -11.591 -1.361 679 1HB GLU 82 HB2 GLU 82 85.280 -13.507 -2.254 680 2HB GLU 82 HB1 GLU 82 84.909 -12.688 -3.765 681 1HG GLU 82 HG2 GLU 82 87.134 -12.793 -4.511 682 2HG GLU 82 HG1 GLU 82 87.751 -13.146 -2.905 683 H GLN 83 HN GLN 83 85.389 -10.579 -4.631 684 HA GLN 83 HA GLN 83 87.926 -9.909 -5.621 685 1HB GLN 83 HB2 GLN 83 85.423 -8.319 -6.182 686 2HB GLN 83 HB1 GLN 83 86.813 -8.510 -7.235 687 1HG GLN 83 HG2 GLN 83 86.316 -10.832 -7.588 688 2HG GLN 83 HG1 GLN 83 85.078 -10.808 -6.345 689 1HE2 GLN 83 HE21 GLN 83 83.449 -11.466 -7.911 690 2HE2 GLN 83 HE22 GLN 83 82.829 -10.357 -9.035 691 H ILE 84 HN ILE 84 85.639 -7.873 -3.860 692 HA ILE 84 HA ILE 84 87.165 -5.494 -3.793 693 HB ILE 84 HB ILE 84 85.459 -6.618 -1.545 694 1HG1 ILE 84 HG12 ILE 84 84.707 -4.968 -3.979 695 2HG1 ILE 84 HG11 ILE 84 84.227 -6.635 -3.663 696 1HG2 ILE 84 HG21 ILE 84 86.904 -4.599 -1.046 697 2HG2 ILE 84 HG22 ILE 84 85.176 -4.316 -0.871 698 3HG2 ILE 84 HG23 ILE 84 86.022 -3.737 -2.305 699 1HD1 ILE 84 HD11 ILE 84 83.180 -5.765 -1.494 700 2HD1 ILE 84 HD12 ILE 84 82.368 -5.308 -2.991 701 3HD1 ILE 84 HD13 ILE 84 83.403 -4.147 -2.160 702 H ALA 85 HN ALA 85 87.436 -8.476 -1.953 703 HA ALA 85 HA ALA 85 89.529 -7.385 -0.189 704 1HB ALA 85 HB1 ALA 85 88.031 -9.065 0.732 705 2HB ALA 85 HB2 ALA 85 89.655 -9.745 0.637 706 3HB ALA 85 HB3 ALA 85 88.441 -10.191 -0.562 707 H GLN 86 HN GLN 86 89.291 -9.024 -3.237 708 HA GLN 86 HA GLN 86 92.056 -9.992 -3.201 709 1HB GLN 86 HB2 GLN 86 90.090 -11.039 -4.469 710 2HB GLN 86 HB1 GLN 86 90.276 -9.721 -5.611 711 1HG GLN 86 HG2 GLN 86 92.741 -10.396 -5.742 712 2HG GLN 86 HG1 GLN 86 92.258 -11.876 -4.925 713 1HE2 GLN 86 HE21 GLN 86 93.233 -12.379 -7.372 714 2HE2 GLN 86 HE22 GLN 86 92.005 -12.662 -8.504 715 H LEU 87 HN LEU 87 90.238 -7.312 -4.570 716 HA LEU 87 HA LEU 87 92.460 -6.248 -6.078 717 1HB LEU 87 HB2 LEU 87 90.174 -5.660 -6.706 718 2HB LEU 87 HB1 LEU 87 89.877 -4.988 -5.105 719 HG LEU 87 HG LEU 87 91.500 -3.222 -5.482 720 1HD1 LEU 87 HD11 LEU 87 93.233 -4.151 -6.773 721 2HD1 LEU 87 HD12 LEU 87 92.431 -3.107 -7.945 722 3HD1 LEU 87 HD13 LEU 87 92.120 -4.842 -7.954 723 1HD2 LEU 87 HD21 LEU 87 89.557 -3.659 -7.765 724 2HD2 LEU 87 HD22 LEU 87 90.425 -2.144 -7.517 725 3HD2 LEU 87 HD23 LEU 87 89.291 -2.721 -6.296 726 H ILE 88 HN ILE 88 91.021 -5.673 -2.931 727 HA ILE 88 HA ILE 88 92.789 -3.514 -2.186 728 HB ILE 88 HB ILE 88 90.978 -5.392 -0.652 729 1HG1 ILE 88 HG12 ILE 88 90.852 -2.394 -1.102 730 2HG1 ILE 88 HG11 ILE 88 90.019 -3.572 -2.113 731 1HG2 ILE 88 HG21 ILE 88 92.691 -4.884 0.938 732 2HG2 ILE 88 HG22 ILE 88 91.396 -3.738 1.281 733 3HG2 ILE 88 HG23 ILE 88 92.818 -3.218 0.379 734 1HD1 ILE 88 HD11 ILE 88 88.963 -4.450 0.056 735 2HD1 ILE 88 HD12 ILE 88 88.403 -2.878 -0.514 736 3HD1 ILE 88 HD13 ILE 88 89.561 -2.974 0.811 737 H ALA 89 HN ALA 89 92.695 -6.998 -1.440 738 HA ALA 89 HA ALA 89 95.080 -7.061 0.132 739 1HB ALA 89 HB1 ALA 89 93.850 -9.217 -1.615 740 2HB ALA 89 HB2 ALA 89 93.507 -8.941 0.092 741 3HB ALA 89 HB3 ALA 89 95.107 -9.489 -0.407 742 H GLY 90 HN GLY 90 94.581 -6.631 -3.236 743 1HA GLY 90 HA2 GLY 90 97.260 -7.597 -3.999 744 2HA GLY 90 HA1 GLY 90 96.062 -6.898 -5.084 745 H TYR 91 HN TYR 91 95.744 -4.545 -3.139 746 HA TYR 91 HA TYR 91 97.923 -2.964 -4.326 747 1HB TYR 91 HB2 TYR 91 95.486 -2.319 -2.672 748 2HB TYR 91 HB1 TYR 91 96.744 -1.109 -2.883 749 HD1 TYR 91 HD1 TYR 91 93.689 -2.082 -4.134 750 HD2 TYR 91 HD2 TYR 91 97.630 -1.069 -5.529 751 HE1 TYR 91 HE1 TYR 91 92.755 -1.455 -6.338 752 HE2 TYR 91 HE2 TYR 91 96.689 -0.464 -7.735 753 HH TYR 91 HH TYR 91 93.636 0.232 -8.300 754 H ILE 92 HN ILE 92 97.176 -4.452 -1.282 755 HA ILE 92 HA ILE 92 98.925 -2.854 0.347 756 HB ILE 92 HB ILE 92 97.944 -5.690 0.737 757 1HG1 ILE 92 HG12 ILE 92 96.882 -3.066 1.834 758 2HG1 ILE 92 HG11 ILE 92 96.191 -3.904 0.445 759 1HG2 ILE 92 HG21 ILE 92 98.358 -5.091 3.179 760 2HG2 ILE 92 HG22 ILE 92 99.248 -3.685 2.597 761 3HG2 ILE 92 HG23 ILE 92 99.812 -5.309 2.204 762 1HD1 ILE 92 HD11 ILE 92 94.883 -4.614 2.300 763 2HD1 ILE 92 HD12 ILE 92 96.307 -4.839 3.317 764 3HD1 ILE 92 HD13 ILE 92 95.989 -5.949 1.985 765 H ASP 93 HN ASP 93 99.443 -5.538 -1.809 766 HA ASP 93 HA ASP 93 102.103 -6.162 -0.725 767 1HB ASP 93 HB2 ASP 93 100.498 -7.146 -3.088 768 2HB ASP 93 HB1 ASP 93 102.174 -7.630 -2.836 769 H ILE 94 HN ILE 94 100.749 -4.027 -3.074 770 HA ILE 94 HA ILE 94 103.259 -3.732 -4.585 771 HB ILE 94 HB ILE 94 100.691 -2.135 -4.729 772 1HG1 ILE 94 HG12 ILE 94 101.662 -4.396 -6.505 773 2HG1 ILE 94 HG11 ILE 94 100.493 -4.612 -5.203 774 1HG2 ILE 94 HG21 ILE 94 102.494 -0.887 -5.712 775 2HG2 ILE 94 HG22 ILE 94 101.625 -1.639 -7.049 776 3HG2 ILE 94 HG23 ILE 94 103.148 -2.330 -6.488 777 1HD1 ILE 94 HD11 ILE 94 99.194 -4.312 -7.179 778 2HD1 ILE 94 HD12 ILE 94 100.192 -2.962 -7.718 779 3HD1 ILE 94 HD13 ILE 94 99.118 -2.768 -6.333 780 H ILE 95 HN ILE 95 101.655 -2.214 -1.902 781 HA ILE 95 HA ILE 95 103.260 0.248 -2.084 782 HB ILE 95 HB ILE 95 102.217 0.755 0.131 783 1HG1 ILE 95 HG12 ILE 95 100.933 -1.957 -0.319 784 2HG1 ILE 95 HG11 ILE 95 102.005 -1.507 1.005 785 1HG2 ILE 95 HG21 ILE 95 100.159 -0.195 -1.871 786 2HG2 ILE 95 HG22 ILE 95 101.142 1.247 -2.123 787 3HG2 ILE 95 HG23 ILE 95 100.032 1.165 -0.755 788 1HD1 ILE 95 HD11 ILE 95 99.811 -1.351 1.914 789 2HD1 ILE 95 HD12 ILE 95 99.195 -0.528 0.481 790 3HD1 ILE 95 HD13 ILE 95 100.290 0.313 1.578 791 H LEU 96 HN LEU 96 103.240 -2.778 -0.321 792 HA LEU 96 HA LEU 96 105.437 -2.007 1.443 793 1HB LEU 96 HB2 LEU 96 103.839 -4.488 0.895 794 2HB LEU 96 HB1 LEU 96 105.352 -4.644 1.789 795 HG LEU 96 HG LEU 96 103.337 -2.556 2.629 796 1HD1 LEU 96 HD11 LEU 96 103.300 -5.465 3.472 797 2HD1 LEU 96 HD12 LEU 96 102.096 -4.699 2.440 798 3HD1 LEU 96 HD13 LEU 96 102.273 -4.188 4.115 799 1HD2 LEU 96 HD21 LEU 96 105.751 -2.848 3.565 800 2HD2 LEU 96 HD22 LEU 96 105.116 -4.282 4.364 801 3HD2 LEU 96 HD23 LEU 96 104.432 -2.697 4.723 802 H LYS 97 HN LYS 97 105.102 -3.412 -1.701 803 HA LYS 97 HA LYS 97 107.589 -4.798 -1.854 804 1HB LYS 97 HB2 LYS 97 106.016 -5.263 -3.565 805 2HB LYS 97 HB1 LYS 97 105.757 -3.560 -3.897 806 1HG LYS 97 HG2 LYS 97 107.104 -4.696 -5.662 807 2HG LYS 97 HG1 LYS 97 107.967 -3.367 -4.910 808 1HD LYS 97 HD2 LYS 97 109.403 -5.361 -5.182 809 2HD LYS 97 HD1 LYS 97 109.189 -4.942 -3.491 810 1HE LYS 97 HE2 LYS 97 108.925 -7.440 -4.208 811 2HE LYS 97 HE1 LYS 97 107.747 -6.759 -3.090 812 1HZ LYS 97 HZ1 LYS 97 106.138 -6.671 -4.688 813 2HZ LYS 97 HZ2 LYS 97 106.990 -8.045 -5.213 814 3HZ LYS 97 HZ3 LYS 97 107.242 -6.544 -5.969 815 H LYS 98 HN LYS 98 106.710 -1.503 -2.889 816 HA LYS 98 HA LYS 98 109.417 -0.764 -3.553 817 1HB LYS 98 HB2 LYS 98 107.147 1.096 -2.804 818 2HB LYS 98 HB1 LYS 98 108.548 1.468 -3.806 819 1HG LYS 98 HG2 LYS 98 106.431 -0.586 -4.513 820 2HG LYS 98 HG1 LYS 98 106.480 1.058 -5.147 821 1HD LYS 98 HD2 LYS 98 108.886 0.494 -5.909 822 2HD LYS 98 HD1 LYS 98 108.442 -1.188 -5.619 823 1HE LYS 98 HE2 LYS 98 108.038 -0.621 -7.964 824 2HE LYS 98 HE1 LYS 98 106.503 -0.917 -7.149 825 1HZ LYS 98 HZ1 LYS 98 106.792 1.177 -8.616 826 2HZ LYS 98 HZ2 LYS 98 107.591 1.813 -7.257 827 3HZ LYS 98 HZ3 LYS 98 105.975 1.302 -7.135 828 H LYS 99 HN LYS 99 107.329 0.017 -0.758 829 HA LYS 99 HA LYS 99 109.242 1.494 0.698 830 1HB LYS 99 HB2 LYS 99 106.963 -0.234 1.653 831 2HB LYS 99 HB1 LYS 99 107.886 0.832 2.708 832 1HG LYS 99 HG2 LYS 99 107.304 2.737 1.170 833 2HG LYS 99 HG1 LYS 99 106.236 1.640 0.298 834 1HD LYS 99 HD2 LYS 99 104.848 1.313 2.226 835 2HD LYS 99 HD1 LYS 99 106.013 2.119 3.278 836 1HE LYS 99 HE2 LYS 99 104.705 3.534 0.950 837 2HE LYS 99 HE1 LYS 99 103.986 3.512 2.560 838 1HZ LYS 99 HZ1 LYS 99 105.939 4.529 3.459 839 2HZ LYS 99 HZ2 LYS 99 105.406 5.467 2.146 840 3HZ LYS 99 HZ3 LYS 99 106.744 4.436 1.970 841 H LYS 100 HN LYS 100 109.434 -1.744 -0.179 842 HA LYS 100 HA LYS 100 110.396 -3.112 2.052 843 1HB LYS 100 HB2 LYS 100 111.599 -4.544 0.554 844 2HB LYS 100 HB1 LYS 100 110.158 -4.013 -0.304 845 1HG LYS 100 HG2 LYS 100 111.611 -3.445 -1.987 846 2HG LYS 100 HG1 LYS 100 111.951 -2.024 -1.005 847 1HD LYS 100 HD2 LYS 100 113.821 -3.256 0.086 848 2HD LYS 100 HD1 LYS 100 113.489 -4.641 -0.952 849 1HE LYS 100 HE2 LYS 100 113.838 -3.142 -2.942 850 2HE LYS 100 HE1 LYS 100 114.361 -1.877 -1.830 851 1HZ LYS 100 HZ1 LYS 100 115.975 -3.628 -0.963 852 2HZ LYS 100 HZ2 LYS 100 116.318 -2.922 -2.470 853 3HZ LYS 100 HZ3 LYS 100 115.640 -4.478 -2.392 854 1H SER 1 HT1 SER 1 88.183 -16.557 10.730 855 2H SER 1 HT2 SER 1 88.772 -18.016 10.087 856 3H SER 1 HT3 SER 1 87.240 -17.964 10.819 857 HA SER 1 HA SER 1 87.655 -17.801 8.176 858 1HB SER 1 HB2 SER 1 85.510 -18.146 9.472 859 2HB SER 1 HB1 SER 1 85.419 -16.397 9.666 860 HG SER 1 HG SER 1 84.257 -17.185 7.830 861 H TRP 2 HN TRP 2 88.885 -15.487 10.102 862 HA TRP 2 HA TRP 2 88.160 -13.135 8.467 863 1HB TRP 2 HB2 TRP 2 89.796 -13.608 10.954 864 2HB TRP 2 HB1 TRP 2 90.041 -12.123 10.044 865 HD1 TRP 2 HD1 TRP 2 87.471 -13.951 12.164 866 HE1 TRP 2 HE1 TRP 2 85.590 -12.302 12.798 867 HE3 TRP 2 HE3 TRP 2 88.793 -9.969 9.275 868 HZ2 TRP 2 HZ2 TRP 2 84.762 -9.633 12.154 869 HZ3 TRP 2 HZ3 TRP 2 87.447 -7.889 9.296 870 HH2 TRP 2 HH2 TRP 2 85.444 -7.714 10.729 871 H VAL 3 HN VAL 3 90.265 -11.732 7.960 872 HA VAL 3 HA VAL 3 92.485 -13.361 6.910 873 HB VAL 3 HB VAL 3 91.079 -13.407 4.986 874 1HG1 VAL 3 HG11 VAL 3 90.611 -10.463 5.485 875 2HG1 VAL 3 HG12 VAL 3 89.441 -11.757 5.766 876 3HG1 VAL 3 HG13 VAL 3 89.965 -11.381 4.125 877 1HG2 VAL 3 HG21 VAL 3 92.712 -10.918 4.470 878 2HG2 VAL 3 HG22 VAL 3 92.390 -12.269 3.383 879 3HG2 VAL 3 HG23 VAL 3 93.497 -12.475 4.745 880 1HN PTR 4 HN PTR 4 94.392 -12.204 7.000 881 HA PTR 4 HA PTR 4 94.193 -9.315 7.820 882 1HB PTR 4 HB1 PTR 4 96.403 -9.831 9.010 883 2HB PTR 4 HB2 PTR 4 96.039 -11.533 8.726 884 HD1 PTR 4 HD1 PTR 4 93.520 -12.231 9.376 885 HD2 PTR 4 HD2 PTR 4 95.672 -8.893 11.025 886 HE1 PTR 4 HE1 PTR 4 92.033 -12.248 11.354 887 HE2 PTR 4 HE2 PTR 4 94.180 -8.914 13.004 888 H SER 5 HN SER 5 96.804 -8.613 7.696 889 HA SER 5 HA SER 5 97.906 -9.364 5.063 890 1HB SER 5 HB2 SER 5 97.212 -7.479 3.978 891 2HB SER 5 HB1 SER 5 96.259 -7.059 5.395 892 HG SER 5 HG SER 5 98.806 -6.209 4.606 893 HA PRO 6 HA PRO 6 101.729 -8.654 7.100 894 1HB PRO 6 HB2 PRO 6 103.084 -7.038 5.169 895 2HB PRO 6 HB1 PRO 6 103.133 -8.797 5.297 896 1HG PRO 6 HG2 PRO 6 101.694 -7.147 3.326 897 2HG PRO 6 HG1 PRO 6 102.036 -8.883 3.281 898 1HD PRO 6 HD2 PRO 6 99.516 -7.685 3.814 899 2HD PRO 6 HD1 PRO 6 99.939 -9.392 4.052 900 H LEU 7 HN LEU 7 102.054 -5.576 5.414 901 HA LEU 7 HA LEU 7 102.294 -3.417 6.310 902 1HB LEU 7 HB2 LEU 7 99.741 -4.426 7.570 903 2HB LEU 7 HB1 LEU 7 100.278 -2.758 7.709 904 HG LEU 7 HG LEU 7 99.969 -4.137 5.030 905 1HD1 LEU 7 HD11 LEU 7 97.759 -3.180 4.830 906 2HD1 LEU 7 HD12 LEU 7 97.919 -2.365 6.386 907 3HD1 LEU 7 HD13 LEU 7 97.804 -4.123 6.319 908 1HD2 LEU 7 HD21 LEU 7 100.379 -1.292 5.963 909 2HD2 LEU 7 HD22 LEU 7 99.577 -1.600 4.427 910 3HD2 LEU 7 HD23 LEU 7 101.221 -2.174 4.689 911 H HIS 8 HN HIS 8 101.964 -2.230 8.668 912 HA HIS 8 HA HIS 8 103.691 -3.816 10.532 913 1HB HIS 8 HB2 HIS 8 103.298 -0.847 10.099 914 2HB HIS 8 HB1 HIS 8 104.131 -1.494 11.509 915 HD1 HIS 8 HD1 HIS 8 106.439 -2.617 11.136 916 HD2 HIS 8 HD2 HIS 8 104.712 -1.147 7.638 917 HE1 HIS 8 HE1 HIS 8 108.251 -2.670 9.367 Start of MODEL 13 1 1H LEU 1 HT1 LEU 1 84.703 15.436 -11.152 2 2H LEU 1 HT2 LEU 1 86.164 16.285 -11.321 3 3H LEU 1 HT3 LEU 1 85.600 15.859 -9.777 4 HA LEU 1 HA LEU 1 85.705 13.462 -11.002 5 1HB LEU 1 HB2 LEU 1 87.906 15.270 -12.017 6 2HB LEU 1 HB1 LEU 1 88.116 13.525 -11.919 7 HG LEU 1 HG LEU 1 87.354 14.313 -14.173 8 1HD1 LEU 1 HD11 LEU 1 86.678 12.029 -12.965 9 2HD1 LEU 1 HD12 LEU 1 86.013 12.465 -14.536 10 3HD1 LEU 1 HD13 LEU 1 85.057 12.717 -13.080 11 1HD2 LEU 1 HD21 LEU 1 85.894 16.154 -13.102 12 2HD2 LEU 1 HD22 LEU 1 84.690 14.886 -12.869 13 3HD2 LEU 1 HD23 LEU 1 85.226 15.304 -14.495 14 H LYS 2 HN LYS 2 85.543 14.409 -8.470 15 HA LYS 2 HA LYS 2 88.055 14.539 -7.089 16 1HB LYS 2 HB2 LYS 2 85.204 14.052 -6.238 17 2HB LYS 2 HB1 LYS 2 86.529 13.979 -5.077 18 1HG LYS 2 HG2 LYS 2 85.449 16.235 -5.215 19 2HG LYS 2 HG1 LYS 2 87.171 16.259 -5.577 20 1HD LYS 2 HD2 LYS 2 86.793 16.479 -7.908 21 2HD LYS 2 HD1 LYS 2 85.101 16.008 -7.758 22 1HE LYS 2 HE2 LYS 2 84.660 18.081 -6.464 23 2HE LYS 2 HE1 LYS 2 86.343 18.558 -6.685 24 1HZ LYS 2 HZ1 LYS 2 84.989 17.826 -9.122 25 2HZ LYS 2 HZ2 LYS 2 85.976 19.168 -8.787 26 3HZ LYS 2 HZ3 LYS 2 84.332 19.191 -8.358 27 H THR 3 HN THR 3 87.130 12.093 -8.884 28 HA THR 3 HA THR 3 88.498 10.099 -7.201 29 HB THR 3 HB THR 3 86.275 9.673 -6.438 30 HG1 THR 3 HG1 THR 3 86.176 7.627 -7.015 31 1HG2 THR 3 HG21 THR 3 85.502 9.971 -9.347 32 2HG2 THR 3 HG22 THR 3 84.999 10.983 -7.994 33 3HG2 THR 3 HG23 THR 3 84.414 9.325 -8.119 34 H TYR 4 HN TYR 4 89.647 11.058 -9.348 35 HA TYR 4 HA TYR 4 88.897 9.544 -11.766 36 1HB TYR 4 HB2 TYR 4 89.832 11.956 -11.697 37 2HB TYR 4 HB1 TYR 4 91.397 11.203 -11.408 38 HD1 TYR 4 HD1 TYR 4 88.986 12.124 -13.883 39 HD2 TYR 4 HD2 TYR 4 92.157 9.361 -13.050 40 HE1 TYR 4 HE1 TYR 4 89.209 11.655 -16.310 41 HE2 TYR 4 HE2 TYR 4 92.388 8.889 -15.474 42 HH TYR 4 HH TYR 4 90.403 9.212 -17.603 43 H GLY 5 HN GLY 5 89.778 7.595 -12.285 44 1HA GLY 5 HA2 GLY 5 91.323 5.815 -12.342 45 2HA GLY 5 HA1 GLY 5 92.491 6.873 -11.551 46 H VAL 6 HN VAL 6 89.266 5.856 -10.460 47 HA VAL 6 HA VAL 6 90.544 4.506 -8.101 48 HB VAL 6 HB VAL 6 88.095 6.297 -8.144 49 1HG1 VAL 6 HG11 VAL 6 89.302 4.542 -5.998 50 2HG1 VAL 6 HG12 VAL 6 87.648 4.524 -6.608 51 3HG1 VAL 6 HG13 VAL 6 88.212 5.879 -5.631 52 1HG2 VAL 6 HG21 VAL 6 90.687 6.597 -6.605 53 2HG2 VAL 6 HG22 VAL 6 89.396 7.786 -6.777 54 3HG2 VAL 6 HG23 VAL 6 90.401 7.369 -8.165 55 H SER 7 HN SER 7 89.762 2.467 -7.728 56 HA SER 7 HA SER 7 87.761 1.397 -9.584 57 1HB SER 7 HB2 SER 7 88.918 -0.093 -7.238 58 2HB SER 7 HB1 SER 7 88.374 -0.724 -8.787 59 HG SER 7 HG SER 7 90.273 1.107 -9.198 60 H PHE 8 HN PHE 8 85.710 1.954 -9.123 61 HA PHE 8 HA PHE 8 84.748 2.143 -6.322 62 1HB PHE 8 HB2 PHE 8 82.569 2.731 -7.633 63 2HB PHE 8 HB1 PHE 8 83.900 3.884 -7.665 64 HD1 PHE 8 HD1 PHE 8 85.283 4.167 -9.666 65 HD2 PHE 8 HD2 PHE 8 82.015 1.380 -9.592 66 HE1 PHE 8 HE1 PHE 8 85.385 3.981 -12.137 67 HE2 PHE 8 HE2 PHE 8 82.117 1.195 -12.063 68 HZ PHE 8 HZ PHE 8 83.801 2.496 -13.335 69 H PHE 9 HN PHE 9 82.906 0.869 -5.613 70 HA PHE 9 HA PHE 9 82.210 -1.528 -7.248 71 1HB PHE 9 HB2 PHE 9 83.384 -1.518 -4.462 72 2HB PHE 9 HB1 PHE 9 82.352 -2.840 -5.002 73 HD1 PHE 9 HD1 PHE 9 85.437 -0.925 -5.877 74 HD2 PHE 9 HD2 PHE 9 83.219 -4.572 -6.363 75 HE1 PHE 9 HE1 PHE 9 87.367 -1.942 -7.051 76 HE2 PHE 9 HE2 PHE 9 85.153 -5.592 -7.535 77 HZ PHE 9 HZ PHE 9 87.227 -4.276 -7.880 78 H LEU 10 HN LEU 10 80.018 -1.937 -7.111 79 HA LEU 10 HA LEU 10 78.377 -0.082 -5.577 80 1HB LEU 10 HB2 LEU 10 77.719 -0.976 -7.824 81 2HB LEU 10 HB1 LEU 10 77.521 -2.562 -7.088 82 HG LEU 10 HG LEU 10 75.925 -1.268 -5.397 83 1HD1 LEU 10 HD11 LEU 10 75.960 0.530 -7.836 84 2HD1 LEU 10 HD12 LEU 10 76.383 0.979 -6.184 85 3HD1 LEU 10 HD13 LEU 10 74.717 0.562 -6.585 86 1HD2 LEU 10 HD21 LEU 10 75.223 -3.034 -6.990 87 2HD2 LEU 10 HD22 LEU 10 75.111 -1.825 -8.268 88 3HD2 LEU 10 HD23 LEU 10 74.025 -1.744 -6.881 89 H VAL 11 HN VAL 11 78.254 -0.332 -3.464 90 HA VAL 11 HA VAL 11 77.629 -3.046 -2.354 91 HB VAL 11 HB VAL 11 78.851 -2.482 -0.348 92 1HG1 VAL 11 HG11 VAL 11 81.071 -2.563 -1.178 93 2HG1 VAL 11 HG12 VAL 11 80.669 -1.590 -2.594 94 3HG1 VAL 11 HG13 VAL 11 80.101 -3.256 -2.478 95 1HG2 VAL 11 HG21 VAL 11 80.197 -0.268 -0.375 96 2HG2 VAL 11 HG22 VAL 11 78.468 -0.163 -0.049 97 3HG2 VAL 11 HG23 VAL 11 79.088 0.235 -1.651 98 H LYS 12 HN LYS 12 76.060 -2.951 -0.607 99 HA LYS 12 HA LYS 12 74.429 -0.432 -0.694 100 1HB LYS 12 HB2 LYS 12 73.774 -3.318 -0.648 101 2HB LYS 12 HB1 LYS 12 72.811 -2.355 0.467 102 1HG LYS 12 HG2 LYS 12 71.998 -0.954 -1.284 103 2HG LYS 12 HG1 LYS 12 73.201 -1.564 -2.430 104 1HD LYS 12 HD2 LYS 12 72.140 -3.827 -2.246 105 2HD LYS 12 HD1 LYS 12 70.886 -3.110 -1.235 106 1HE LYS 12 HE2 LYS 12 70.021 -3.154 -3.476 107 2HE LYS 12 HE1 LYS 12 70.444 -1.478 -3.125 108 1HZ LYS 12 HZ1 LYS 12 71.743 -1.529 -4.901 109 2HZ LYS 12 HZ2 LYS 12 71.470 -3.191 -5.130 110 3HZ LYS 12 HZ3 LYS 12 72.732 -2.664 -4.120 111 H GLU 13 HN GLU 13 73.821 0.547 1.185 112 HA GLU 13 HA GLU 13 75.228 -0.374 3.676 113 1HB GLU 13 HB2 GLU 13 74.665 2.336 2.501 114 2HB GLU 13 HB1 GLU 13 74.807 2.186 4.249 115 1HG GLU 13 HG2 GLU 13 76.919 0.986 2.458 116 2HG GLU 13 HG1 GLU 13 76.955 2.704 2.841 117 H LYS 14 HN LYS 14 74.074 0.145 5.682 118 HA LYS 14 HA LYS 14 71.096 -0.008 5.351 119 1HB LYS 14 HB2 LYS 14 73.032 -1.244 7.301 120 2HB LYS 14 HB1 LYS 14 71.384 -0.915 7.834 121 1HG LYS 14 HG2 LYS 14 71.731 -3.232 6.898 122 2HG LYS 14 HG1 LYS 14 70.463 -2.307 6.095 123 1HD LYS 14 HD2 LYS 14 71.772 -1.919 4.179 124 2HD LYS 14 HD1 LYS 14 73.284 -2.252 5.027 125 1HE LYS 14 HE2 LYS 14 71.145 -4.317 4.423 126 2HE LYS 14 HE1 LYS 14 72.636 -4.109 3.503 127 1HZ LYS 14 HZ1 LYS 14 72.979 -5.829 5.085 128 2HZ LYS 14 HZ2 LYS 14 72.380 -4.875 6.357 129 3HZ LYS 14 HZ3 LYS 14 73.856 -4.478 5.615 130 H MET 15 HN MET 15 70.571 2.147 5.469 131 HA MET 15 HA MET 15 71.790 3.977 7.336 132 1HB MET 15 HB2 MET 15 69.968 4.122 5.133 133 2HB MET 15 HB1 MET 15 69.177 4.894 6.488 134 1HG MET 15 HG2 MET 15 71.934 5.553 5.422 135 2HG MET 15 HG1 MET 15 70.485 6.541 5.230 136 1HE MET 15 HE1 MET 15 73.635 6.821 6.871 137 2HE MET 15 HE2 MET 15 73.081 8.235 7.763 138 3HE MET 15 HE3 MET 15 72.647 8.048 6.066 139 H LYS 16 HN LYS 16 70.714 4.916 9.205 140 HA LYS 16 HA LYS 16 70.085 4.135 11.411 141 1HB LYS 16 HB2 LYS 16 67.319 4.590 10.393 142 2HB LYS 16 HB1 LYS 16 68.124 5.261 11.801 143 1HG LYS 16 HG2 LYS 16 68.196 7.152 10.496 144 2HG LYS 16 HG1 LYS 16 69.659 6.398 9.884 145 1HD LYS 16 HD2 LYS 16 68.645 6.696 7.841 146 2HD LYS 16 HD1 LYS 16 67.795 5.206 8.254 147 1HE LYS 16 HE2 LYS 16 66.069 6.758 9.413 148 2HE LYS 16 HE1 LYS 16 66.814 8.052 8.475 149 1HZ LYS 16 HZ1 LYS 16 66.441 6.657 6.473 150 2HZ LYS 16 HZ2 LYS 16 65.009 7.179 7.225 151 3HZ LYS 16 HZ3 LYS 16 65.548 5.581 7.433 152 H GLY 17 HN GLY 17 67.284 2.934 9.558 153 1HA GLY 17 HA2 GLY 17 67.923 0.163 10.105 154 2HA GLY 17 HA1 GLY 17 66.704 0.778 11.216 155 H LYS 18 HN LYS 18 66.630 2.237 8.073 156 HA LYS 18 HA LYS 18 63.963 1.363 7.591 157 1HB LYS 18 HB2 LYS 18 65.079 1.719 5.001 158 2HB LYS 18 HB1 LYS 18 64.163 2.898 5.926 159 1HG LYS 18 HG2 LYS 18 66.229 3.908 5.313 160 2HG LYS 18 HG1 LYS 18 66.323 3.569 7.031 161 1HD LYS 18 HD2 LYS 18 68.376 2.735 6.298 162 2HD LYS 18 HD1 LYS 18 67.397 1.288 6.228 163 1HE LYS 18 HE2 LYS 18 67.070 1.563 3.844 164 2HE LYS 18 HE1 LYS 18 67.854 3.138 3.870 165 1HZ LYS 18 HZ1 LYS 18 69.273 1.240 3.129 166 2HZ LYS 18 HZ2 LYS 18 69.213 0.649 4.721 167 3HZ LYS 18 HZ3 LYS 18 69.910 2.164 4.398 168 H ASN 19 HN ASN 19 63.098 -0.485 6.755 169 HA ASN 19 HA ASN 19 64.605 -2.887 6.641 170 1HB ASN 19 HB2 ASN 19 62.635 -3.693 5.204 171 2HB ASN 19 HB1 ASN 19 62.229 -3.074 6.803 172 1HD2 ASN 19 HD21 ASN 19 60.035 -2.739 5.578 173 2HD2 ASN 19 HD22 ASN 19 59.839 -1.255 4.778 174 H LYS 20 HN LYS 20 64.549 -0.233 4.611 175 HA LYS 20 HA LYS 20 65.188 -1.644 2.124 176 1HB LYS 20 HB2 LYS 20 64.395 1.019 2.908 177 2HB LYS 20 HB1 LYS 20 65.830 1.132 1.907 178 1HG LYS 20 HG2 LYS 20 64.010 1.213 0.393 179 2HG LYS 20 HG1 LYS 20 64.624 -0.425 0.272 180 1HD LYS 20 HD2 LYS 20 62.347 -0.866 0.501 181 2HD LYS 20 HD1 LYS 20 62.839 -0.902 2.192 182 1HE LYS 20 HE2 LYS 20 62.159 1.461 2.443 183 2HE LYS 20 HE1 LYS 20 61.682 1.504 0.746 184 1HZ LYS 20 HZ1 LYS 20 60.481 -0.716 1.967 185 2HZ LYS 20 HZ2 LYS 20 59.733 0.655 1.296 186 3HZ LYS 20 HZ3 LYS 20 60.181 0.644 2.935 187 H LEU 21 HN LEU 21 67.189 -0.346 1.008 188 HA LEU 21 HA LEU 21 69.552 -0.480 2.838 189 1HB LEU 21 HB2 LEU 21 69.672 -1.592 0.031 190 2HB LEU 21 HB1 LEU 21 70.774 -1.859 1.371 191 HG LEU 21 HG LEU 21 68.517 -2.881 2.477 192 1HD1 LEU 21 HD11 LEU 21 68.250 -3.576 -0.456 193 2HD1 LEU 21 HD12 LEU 21 67.247 -2.368 0.346 194 3HD1 LEU 21 HD13 LEU 21 67.176 -4.054 0.858 195 1HD2 LEU 21 HD21 LEU 21 70.194 -4.467 0.515 196 2HD2 LEU 21 HD22 LEU 21 69.334 -5.086 1.921 197 3HD2 LEU 21 HD23 LEU 21 70.731 -4.037 2.138 198 H VAL 22 HN VAL 22 71.427 0.739 1.930 199 HA VAL 22 HA VAL 22 70.513 2.900 0.047 200 HB VAL 22 HB VAL 22 72.395 2.924 2.404 201 1HG1 VAL 22 HG11 VAL 22 72.166 4.888 0.115 202 2HG1 VAL 22 HG12 VAL 22 73.626 4.156 0.780 203 3HG1 VAL 22 HG13 VAL 22 72.752 5.376 1.706 204 1HG2 VAL 22 HG21 VAL 22 70.927 4.791 3.096 205 2HG2 VAL 22 HG22 VAL 22 69.999 3.317 2.825 206 3HG2 VAL 22 HG23 VAL 22 69.988 4.597 1.615 207 HA PRO 23 HA PRO 23 73.717 0.839 -2.520 208 1HB PRO 23 HB2 PRO 23 73.253 3.103 -4.360 209 2HB PRO 23 HB1 PRO 23 73.088 1.387 -4.677 210 1HG PRO 23 HG2 PRO 23 70.954 3.146 -4.403 211 2HG PRO 23 HG1 PRO 23 70.839 1.399 -4.137 212 1HD PRO 23 HD2 PRO 23 70.821 3.585 -2.137 213 2HD PRO 23 HD1 PRO 23 70.257 1.905 -1.974 214 H ARG 24 HN ARG 24 75.918 1.383 -2.903 215 HA ARG 24 HA ARG 24 76.830 4.159 -2.503 216 1HB ARG 24 HB2 ARG 24 76.561 3.067 -0.186 217 2HB ARG 24 HB1 ARG 24 77.891 2.016 -0.652 218 1HG ARG 24 HG2 ARG 24 79.056 3.734 0.408 219 2HG ARG 24 HG1 ARG 24 79.101 4.290 -1.264 220 1HD ARG 24 HD2 ARG 24 78.390 6.204 -0.109 221 2HD ARG 24 HD1 ARG 24 76.862 5.510 -0.645 222 HE ARG 24 HE ARG 24 77.238 4.382 1.846 223 1HH1 ARG 24 HH21 ARG 24 77.265 7.558 0.510 224 2HH1 ARG 24 HH22 ARG 24 76.687 8.318 1.955 225 1HH2 ARG 24 HH11 ARG 24 76.482 5.356 3.747 226 2HH2 ARG 24 HH12 ARG 24 76.246 7.071 3.789 227 H LEU 25 HN LEU 25 78.970 4.454 -3.287 228 HA LEU 25 HA LEU 25 80.076 2.116 -4.801 229 1HB LEU 25 HB2 LEU 25 80.371 5.097 -5.194 230 2HB LEU 25 HB1 LEU 25 81.258 3.908 -6.126 231 HG LEU 25 HG LEU 25 78.232 3.979 -5.954 232 1HD1 LEU 25 HD11 LEU 25 79.996 5.116 -8.144 233 2HD1 LEU 25 HD12 LEU 25 79.168 6.090 -6.929 234 3HD1 LEU 25 HD13 LEU 25 78.234 5.147 -8.090 235 1HD2 LEU 25 HD21 LEU 25 78.618 2.759 -8.234 236 2HD2 LEU 25 HD22 LEU 25 78.864 1.855 -6.748 237 3HD2 LEU 25 HD23 LEU 25 80.250 2.482 -7.632 238 H LEU 26 HN LEU 26 82.001 1.321 -4.068 239 HA LEU 26 HA LEU 26 83.435 2.843 -1.932 240 1HB LEU 26 HB2 LEU 26 82.541 0.602 -1.337 241 2HB LEU 26 HB1 LEU 26 83.521 -0.110 -2.611 242 HG LEU 26 HG LEU 26 85.570 0.799 -1.472 243 1HD1 LEU 26 HD11 LEU 26 85.086 1.319 1.059 244 2HD1 LEU 26 HD12 LEU 26 83.471 1.730 0.482 245 3HD1 LEU 26 HD13 LEU 26 84.876 2.594 -0.136 246 1HD2 LEU 26 HD21 LEU 26 83.745 -1.045 0.096 247 2HD2 LEU 26 HD22 LEU 26 85.466 -0.845 0.427 248 3HD2 LEU 26 HD23 LEU 26 84.937 -1.513 -1.117 249 H GLY 27 HN GLY 27 85.058 3.964 -2.816 250 1HA GLY 27 HA2 GLY 27 86.532 3.068 -5.153 251 2HA GLY 27 HA1 GLY 27 86.828 4.544 -4.253 252 H ILE 28 HN ILE 28 88.616 2.257 -5.192 253 HA ILE 28 HA ILE 28 89.989 1.809 -2.563 254 HB ILE 28 HB ILE 28 89.660 -0.165 -4.860 255 1HG1 ILE 28 HG12 ILE 28 88.954 -1.572 -2.690 256 2HG1 ILE 28 HG11 ILE 28 88.592 0.023 -2.045 257 1HG2 ILE 28 HG21 ILE 28 91.061 -1.644 -3.304 258 2HG2 ILE 28 HG22 ILE 28 91.502 -0.158 -2.464 259 3HG2 ILE 28 HG23 ILE 28 91.923 -0.370 -4.164 260 1HD1 ILE 28 HD11 ILE 28 86.566 -0.653 -3.024 261 2HD1 ILE 28 HD12 ILE 28 87.373 -1.378 -4.413 262 3HD1 ILE 28 HD13 ILE 28 87.282 0.373 -4.263 263 H THR 29 HN THR 29 91.785 3.084 -2.705 264 HA THR 29 HA THR 29 93.135 3.382 -5.356 265 HB THR 29 HB THR 29 94.452 5.169 -3.977 266 HG1 THR 29 HG1 THR 29 93.135 4.158 -2.063 267 1HG2 THR 29 HG21 THR 29 92.682 6.826 -4.386 268 2HG2 THR 29 HG22 THR 29 91.497 5.529 -4.545 269 3HG2 THR 29 HG23 THR 29 92.794 5.688 -5.729 270 H LYS 30 HN LYS 30 95.600 3.439 -5.182 271 HA LYS 30 HA LYS 30 96.493 0.940 -4.055 272 1HB LYS 30 HB2 LYS 30 98.790 1.917 -4.780 273 2HB LYS 30 HB1 LYS 30 97.593 1.585 -6.033 274 1HG LYS 30 HG2 LYS 30 96.986 3.859 -6.234 275 2HG LYS 30 HG1 LYS 30 97.741 4.292 -4.705 276 1HD LYS 30 HD2 LYS 30 99.171 5.059 -6.507 277 2HD LYS 30 HD1 LYS 30 99.968 3.707 -5.706 278 1HE LYS 30 HE2 LYS 30 99.395 2.194 -7.445 279 2HE LYS 30 HE1 LYS 30 98.209 3.305 -8.130 280 1HZ LYS 30 HZ1 LYS 30 101.047 4.079 -7.943 281 2HZ LYS 30 HZ2 LYS 30 99.846 4.658 -8.997 282 3HZ LYS 30 HZ3 LYS 30 100.510 3.111 -9.227 283 H GLU 31 HN GLU 31 96.122 4.035 -2.725 284 HA GLU 31 HA GLU 31 97.924 3.311 -0.437 285 1HB GLU 31 HB2 GLU 31 97.531 6.021 -1.721 286 2HB GLU 31 HB1 GLU 31 98.392 5.756 -0.210 287 1HG GLU 31 HG2 GLU 31 99.806 4.061 -1.577 288 2HG GLU 31 HG1 GLU 31 99.148 4.880 -2.983 289 H CYS 32 HN CYS 32 94.763 3.642 -1.238 290 HA CYS 32 HA CYS 32 93.983 4.019 1.513 291 1HB CYS 32 HB2 CYS 32 92.609 6.240 0.678 292 2HB CYS 32 HB1 CYS 32 94.161 6.317 1.492 293 HG CYS 32 HG CYS 32 94.973 6.081 -1.260 294 H VAL 33 HN VAL 33 91.538 4.374 1.670 295 HA VAL 33 HA VAL 33 90.080 3.086 -0.617 296 HB VAL 33 HB VAL 33 89.602 2.645 2.357 297 1HG1 VAL 33 HG11 VAL 33 88.020 0.897 1.521 298 2HG1 VAL 33 HG12 VAL 33 88.300 1.478 -0.121 299 3HG1 VAL 33 HG13 VAL 33 87.536 2.532 1.070 300 1HG2 VAL 33 HG21 VAL 33 90.907 0.948 0.220 301 2HG2 VAL 33 HG22 VAL 33 90.263 0.255 1.708 302 3HG2 VAL 33 HG23 VAL 33 91.574 1.432 1.779 303 H MET 34 HN MET 34 88.036 4.135 -1.050 304 HA MET 34 HA MET 34 87.365 6.403 0.804 305 1HB MET 34 HB2 MET 34 87.024 6.790 -2.144 306 2HB MET 34 HB1 MET 34 87.370 7.980 -0.894 307 1HG MET 34 HG2 MET 34 89.655 6.831 -0.661 308 2HG MET 34 HG1 MET 34 89.273 6.024 -2.181 309 1HE MET 34 HE1 MET 34 91.921 8.762 -2.906 310 2HE MET 34 HE2 MET 34 91.660 7.260 -2.024 311 3HE MET 34 HE3 MET 34 91.552 8.800 -1.176 312 H ARG 35 HN ARG 35 85.250 7.004 0.969 313 HA ARG 35 HA ARG 35 83.300 4.956 -0.010 314 1HB ARG 35 HB2 ARG 35 83.171 7.174 2.042 315 2HB ARG 35 HB1 ARG 35 81.706 6.418 1.442 316 1HG ARG 35 HG2 ARG 35 82.912 4.167 2.085 317 2HG ARG 35 HG1 ARG 35 83.920 5.206 3.092 318 1HD ARG 35 HD2 ARG 35 80.971 4.664 3.295 319 2HD ARG 35 HD1 ARG 35 82.190 4.641 4.564 320 HE ARG 35 HE ARG 35 82.121 7.290 3.678 321 1HH1 ARG 35 HH21 ARG 35 79.896 4.948 4.885 322 2HH1 ARG 35 HH22 ARG 35 78.859 6.120 5.627 323 1HH2 ARG 35 HH11 ARG 35 80.781 8.833 4.646 324 2HH2 ARG 35 HH12 ARG 35 79.360 8.319 5.492 325 H VAL 36 HN VAL 36 82.228 5.401 -1.853 326 HA VAL 36 HA VAL 36 81.895 8.267 -2.646 327 HB VAL 36 HB VAL 36 82.307 5.819 -4.374 328 1HG1 VAL 36 HG11 VAL 36 82.269 7.432 -6.267 329 2HG1 VAL 36 HG12 VAL 36 81.830 8.717 -5.145 330 3HG1 VAL 36 HG13 VAL 36 80.716 7.384 -5.437 331 1HG2 VAL 36 HG21 VAL 36 84.291 6.903 -3.171 332 2HG2 VAL 36 HG22 VAL 36 84.000 8.313 -4.190 333 3HG2 VAL 36 HG23 VAL 36 84.419 6.766 -4.925 334 H ASP 37 HN ASP 37 79.819 8.907 -2.698 335 HA ASP 37 HA ASP 37 77.660 7.116 -2.124 336 1HB ASP 37 HB2 ASP 37 77.757 9.669 -1.774 337 2HB ASP 37 HB1 ASP 37 77.348 9.799 -3.483 338 H GLU 38 HN GLU 38 76.040 6.309 -3.503 339 HA GLU 38 HA GLU 38 76.922 5.900 -6.298 340 1HB GLU 38 HB2 GLU 38 76.001 4.097 -4.681 341 2HB GLU 38 HB1 GLU 38 74.437 4.832 -4.983 342 1HG GLU 38 HG2 GLU 38 76.250 3.869 -7.200 343 2HG GLU 38 HG1 GLU 38 75.009 2.861 -6.456 344 H LYS 39 HN LYS 39 74.779 7.671 -4.386 345 HA LYS 39 HA LYS 39 72.821 8.359 -6.384 346 1HB LYS 39 HB2 LYS 39 72.407 8.416 -3.941 347 2HB LYS 39 HB1 LYS 39 73.568 9.727 -3.802 348 1HG LYS 39 HG2 LYS 39 72.196 11.123 -5.303 349 2HG LYS 39 HG1 LYS 39 71.024 9.813 -5.448 350 1HD LYS 39 HD2 LYS 39 70.689 9.896 -2.975 351 2HD LYS 39 HD1 LYS 39 71.772 11.287 -2.908 352 1HE LYS 39 HE2 LYS 39 70.256 12.474 -4.515 353 2HE LYS 39 HE1 LYS 39 69.138 11.115 -4.400 354 1HZ LYS 39 HZ1 LYS 39 69.391 13.294 -2.667 355 2HZ LYS 39 HZ2 LYS 39 69.851 11.901 -1.809 356 3HZ LYS 39 HZ3 LYS 39 68.324 11.981 -2.551 357 H THR 40 HN THR 40 75.489 10.137 -4.846 358 HA THR 40 HA THR 40 75.387 12.147 -7.051 359 HB THR 40 HB THR 40 76.973 13.404 -5.489 360 HG1 THR 40 HG1 THR 40 77.563 12.407 -3.759 361 1HG2 THR 40 HG21 THR 40 75.142 14.161 -4.066 362 2HG2 THR 40 HG22 THR 40 74.230 12.693 -4.418 363 3HG2 THR 40 HG23 THR 40 74.540 13.867 -5.697 364 H LYS 41 HN LYS 41 77.066 9.312 -6.330 365 HA LYS 41 HA LYS 41 79.155 8.504 -7.068 366 1HB LYS 41 HB2 LYS 41 77.852 9.706 -9.191 367 2HB LYS 41 HB1 LYS 41 79.409 10.522 -9.230 368 1HG LYS 41 HG2 LYS 41 80.509 8.247 -9.146 369 2HG LYS 41 HG1 LYS 41 78.906 7.535 -9.340 370 1HD LYS 41 HD2 LYS 41 80.285 9.420 -11.276 371 2HD LYS 41 HD1 LYS 41 79.980 7.702 -11.524 372 1HE LYS 41 HE2 LYS 41 77.466 8.373 -11.105 373 2HE LYS 41 HE1 LYS 41 78.029 9.989 -11.532 374 1HZ LYS 41 HZ1 LYS 41 77.543 9.206 -13.586 375 2HZ LYS 41 HZ2 LYS 41 77.844 7.584 -13.179 376 3HZ LYS 41 HZ3 LYS 41 79.139 8.641 -13.484 377 H GLU 42 HN GLU 42 78.943 10.960 -5.240 378 HA GLU 42 HA GLU 42 81.551 12.280 -5.823 379 1HB GLU 42 HB2 GLU 42 79.346 13.510 -5.120 380 2HB GLU 42 HB1 GLU 42 79.758 12.968 -3.502 381 1HG GLU 42 HG2 GLU 42 81.870 14.111 -3.576 382 2HG GLU 42 HG1 GLU 42 81.650 14.518 -5.272 383 H VAL 43 HN VAL 43 83.035 12.569 -3.943 384 HA VAL 43 HA VAL 43 83.432 10.002 -2.569 385 HB VAL 43 HB VAL 43 85.007 12.588 -2.615 386 1HG1 VAL 43 HG11 VAL 43 85.448 11.646 -0.463 387 2HG1 VAL 43 HG12 VAL 43 86.788 11.135 -1.490 388 3HG1 VAL 43 HG13 VAL 43 85.487 10.006 -1.111 389 1HG2 VAL 43 HG21 VAL 43 85.779 9.847 -3.631 390 2HG2 VAL 43 HG22 VAL 43 86.519 11.400 -4.019 391 3HG2 VAL 43 HG23 VAL 43 84.915 11.009 -4.638 392 H ILE 44 HN ILE 44 82.859 9.574 -0.487 393 HA ILE 44 HA ILE 44 81.804 11.830 1.168 394 HB ILE 44 HB ILE 44 81.231 8.879 1.474 395 1HG1 ILE 44 HG12 ILE 44 80.374 9.563 -0.690 396 2HG1 ILE 44 HG11 ILE 44 79.014 9.472 0.427 397 1HG2 ILE 44 HG21 ILE 44 80.872 10.204 3.489 398 2HG2 ILE 44 HG22 ILE 44 79.312 9.754 2.802 399 3HG2 ILE 44 HG23 ILE 44 79.938 11.388 2.577 400 1HD1 ILE 44 HD11 ILE 44 78.661 11.524 -0.661 401 2HD1 ILE 44 HD12 ILE 44 80.379 11.912 -0.692 402 3HD1 ILE 44 HD13 ILE 44 79.479 12.016 0.820 403 H GLN 45 HN GLN 45 84.066 9.122 1.126 404 HA GLN 45 HA GLN 45 85.301 10.242 3.580 405 1HB GLN 45 HB2 GLN 45 83.542 8.296 4.042 406 2HB GLN 45 HB1 GLN 45 84.887 7.266 3.561 407 1HG GLN 45 HG2 GLN 45 85.195 7.445 5.875 408 2HG GLN 45 HG1 GLN 45 86.275 8.685 5.256 409 1HE2 GLN 45 HE21 GLN 45 85.998 9.773 7.406 410 2HE2 GLN 45 HE22 GLN 45 84.613 10.711 7.684 411 H GLU 46 HN GLU 46 87.379 9.174 4.043 412 HA GLU 46 HA GLU 46 88.738 7.828 1.801 413 1HB GLU 46 HB2 GLU 46 89.349 10.581 2.838 414 2HB GLU 46 HB1 GLU 46 90.680 9.563 2.284 415 1HG GLU 46 HG2 GLU 46 89.538 9.257 0.116 416 2HG GLU 46 HG1 GLU 46 88.226 10.303 0.662 417 H TRP 47 HN TRP 47 90.280 6.391 2.557 418 HA TRP 47 HA TRP 47 91.151 6.605 5.397 419 1HB TRP 47 HB2 TRP 47 89.820 4.228 4.097 420 2HB TRP 47 HB1 TRP 47 90.839 4.051 5.516 421 HD1 TRP 47 HD1 TRP 47 89.985 6.390 7.332 422 HE1 TRP 47 HE1 TRP 47 87.601 6.551 8.285 423 HE3 TRP 47 HE3 TRP 47 87.481 3.408 4.014 424 HZ2 TRP 47 HZ2 TRP 47 85.001 5.552 7.747 425 HZ3 TRP 47 HZ3 TRP 47 85.045 3.028 4.273 426 HH2 TRP 47 HH2 TRP 47 83.804 4.094 6.137 427 H SER 48 HN SER 48 93.144 5.504 5.823 428 HA SER 48 HA SER 48 94.852 5.268 3.424 429 1HB SER 48 HB2 SER 48 96.601 4.797 5.343 430 2HB SER 48 HB1 SER 48 95.994 6.431 5.096 431 HG SER 48 HG SER 48 94.426 5.981 6.716 432 H LEU 49 HN LEU 49 95.913 3.340 2.818 433 HA LEU 49 HA LEU 49 94.500 0.896 3.420 434 1HB LEU 49 HB2 LEU 49 96.823 1.718 1.731 435 2HB LEU 49 HB1 LEU 49 96.779 0.020 2.193 436 HG LEU 49 HG LEU 49 94.301 1.332 1.078 437 1HD1 LEU 49 HD11 LEU 49 95.096 0.390 -1.177 438 2HD1 LEU 49 HD12 LEU 49 96.707 0.338 -0.461 439 3HD1 LEU 49 HD13 LEU 49 95.866 1.878 -0.630 440 1HD2 LEU 49 HD21 LEU 49 95.331 -1.486 0.686 441 2HD2 LEU 49 HD22 LEU 49 93.677 -0.895 0.533 442 3HD2 LEU 49 HD23 LEU 49 94.420 -1.030 2.125 443 H THR 50 HN THR 50 97.346 2.468 4.704 444 HA THR 50 HA THR 50 98.387 0.122 6.049 445 HB THR 50 HB THR 50 99.829 1.742 7.242 446 HG1 THR 50 HG1 THR 50 99.106 3.679 7.467 447 1HG2 THR 50 HG21 THR 50 99.507 2.316 4.283 448 2HG2 THR 50 HG22 THR 50 100.468 1.013 4.983 449 3HG2 THR 50 HG23 THR 50 100.936 2.693 5.246 450 H ASN 51 HN ASN 51 95.707 2.099 6.601 451 HA ASN 51 HA ASN 51 95.769 1.829 9.548 452 1HB ASN 51 HB2 ASN 51 93.912 3.153 7.571 453 2HB ASN 51 HB1 ASN 51 93.400 2.890 9.238 454 1HD2 ASN 51 HD21 ASN 51 93.499 5.076 9.968 455 2HD2 ASN 51 HD22 ASN 51 94.941 5.970 10.018 456 H ILE 52 HN ILE 52 94.498 0.132 6.800 457 HA ILE 52 HA ILE 52 92.301 -1.171 8.132 458 HB ILE 52 HB ILE 52 93.952 -2.254 5.827 459 1HG1 ILE 52 HG12 ILE 52 91.594 -0.342 5.850 460 2HG1 ILE 52 HG11 ILE 52 93.229 0.018 5.296 461 1HG2 ILE 52 HG21 ILE 52 92.289 -3.779 6.996 462 2HG2 ILE 52 HG22 ILE 52 91.967 -3.514 5.285 463 3HG2 ILE 52 HG23 ILE 52 91.023 -2.655 6.502 464 1HD1 ILE 52 HD11 ILE 52 91.175 -1.795 4.028 465 2HD1 ILE 52 HD12 ILE 52 92.890 -1.946 3.643 466 3HD1 ILE 52 HD13 ILE 52 92.039 -0.439 3.303 467 H LYS 53 HN LYS 53 92.453 -2.612 9.766 468 HA LYS 53 HA LYS 53 95.044 -3.872 10.387 469 1HB LYS 53 HB2 LYS 53 93.694 -2.973 12.227 470 2HB LYS 53 HB1 LYS 53 92.348 -4.018 11.774 471 1HG LYS 53 HG2 LYS 53 93.613 -6.001 12.308 472 2HG LYS 53 HG1 LYS 53 95.086 -5.059 12.541 473 1HD LYS 53 HD2 LYS 53 94.152 -3.963 14.486 474 2HD LYS 53 HD1 LYS 53 92.574 -4.698 14.196 475 1HE LYS 53 HE2 LYS 53 93.488 -6.922 14.603 476 2HE LYS 53 HE1 LYS 53 95.111 -6.253 14.777 477 1HZ LYS 53 HZ1 LYS 53 92.804 -5.538 16.503 478 2HZ LYS 53 HZ2 LYS 53 94.416 -5.041 16.704 479 3HZ LYS 53 HZ3 LYS 53 93.995 -6.674 16.915 480 H ARG 54 HN ARG 54 91.711 -4.973 9.664 481 HA ARG 54 HA ARG 54 92.794 -7.317 8.249 482 1HB ARG 54 HB2 ARG 54 91.389 -8.893 9.645 483 2HB ARG 54 HB1 ARG 54 92.779 -8.221 10.493 484 1HG ARG 54 HG2 ARG 54 91.459 -6.764 11.781 485 2HG ARG 54 HG1 ARG 54 90.111 -6.822 10.651 486 1HD ARG 54 HD2 ARG 54 89.388 -8.912 11.412 487 2HD ARG 54 HD1 ARG 54 90.958 -9.323 12.101 488 HE ARG 54 HE ARG 54 90.064 -7.060 13.510 489 1HH1 ARG 54 HH21 ARG 54 88.985 -10.263 12.820 490 2HH1 ARG 54 HH22 ARG 54 88.079 -10.416 14.289 491 1HH2 ARG 54 HH11 ARG 54 88.887 -7.243 15.431 492 2HH2 ARG 54 HH12 ARG 54 88.022 -8.706 15.766 493 H TRP 55 HN TRP 55 90.750 -8.737 7.588 494 HA TRP 55 HA TRP 55 88.270 -7.214 7.367 495 1HB TRP 55 HB2 TRP 55 88.220 -7.207 4.887 496 2HB TRP 55 HB1 TRP 55 89.534 -6.214 5.511 497 HD1 TRP 55 HD1 TRP 55 88.908 -9.724 4.050 498 HE1 TRP 55 HE1 TRP 55 91.080 -10.526 2.911 499 HE3 TRP 55 HE3 TRP 55 92.023 -5.872 5.279 500 HZ2 TRP 55 HZ2 TRP 55 93.773 -9.638 2.552 501 HZ3 TRP 55 HZ3 TRP 55 94.381 -5.873 4.521 502 HH2 TRP 55 HH2 TRP 55 95.257 -7.754 3.161 503 H ALA 56 HN ALA 56 86.655 -8.503 5.992 504 HA ALA 56 HA ALA 56 87.266 -11.403 5.873 505 1HB ALA 56 HB1 ALA 56 86.449 -11.377 8.088 506 2HB ALA 56 HB2 ALA 56 85.020 -11.779 7.137 507 3HB ALA 56 HB3 ALA 56 85.251 -10.134 7.731 508 H ALA 57 HN ALA 57 86.619 -11.874 3.828 509 HA ALA 57 HA ALA 57 84.316 -10.386 2.654 510 1HB ALA 57 HB1 ALA 57 85.133 -11.139 0.516 511 2HB ALA 57 HB2 ALA 57 86.249 -12.269 1.284 512 3HB ALA 57 HB3 ALA 57 86.511 -10.533 1.433 513 H SER 58 HN SER 58 82.379 -11.342 2.661 514 HA SER 58 HA SER 58 82.228 -14.321 2.776 515 1HB SER 58 HB2 SER 58 80.633 -12.122 4.008 516 2HB SER 58 HB1 SER 58 79.739 -13.548 3.499 517 HG SER 58 HG SER 58 80.430 -14.333 5.323 518 HA PRO 59 HA PRO 59 80.406 -14.301 -1.244 519 1HB PRO 59 HB2 PRO 59 78.174 -16.016 -0.760 520 2HB PRO 59 HB1 PRO 59 79.780 -16.505 -1.315 521 1HG PRO 59 HG2 PRO 59 78.586 -16.769 1.382 522 2HG PRO 59 HG1 PRO 59 79.967 -17.629 0.684 523 1HD PRO 59 HD2 PRO 59 80.134 -15.607 2.621 524 2HD PRO 59 HD1 PRO 59 81.474 -16.148 1.594 525 H LYS 60 HN LYS 60 79.298 -12.372 0.971 526 HA LYS 60 HA LYS 60 76.988 -11.484 -0.634 527 1HB LYS 60 HB2 LYS 60 75.461 -11.477 1.253 528 2HB LYS 60 HB1 LYS 60 76.099 -13.103 1.044 529 1HG LYS 60 HG2 LYS 60 77.948 -12.277 2.746 530 2HG LYS 60 HG1 LYS 60 76.719 -11.098 3.183 531 1HD LYS 60 HD2 LYS 60 75.114 -13.074 3.422 532 2HD LYS 60 HD1 LYS 60 76.543 -14.105 3.322 533 1HE LYS 60 HE2 LYS 60 76.188 -13.754 5.652 534 2HE LYS 60 HE1 LYS 60 77.519 -12.683 5.216 535 1HZ LYS 60 HZ1 LYS 60 76.100 -10.833 5.185 536 2HZ LYS 60 HZ2 LYS 60 75.678 -11.685 6.593 537 3HZ LYS 60 HZ3 LYS 60 74.698 -11.787 5.210 538 H SER 61 HN SER 61 79.135 -10.936 2.133 539 HA SER 61 HA SER 61 78.922 -7.994 1.608 540 1HB SER 61 HB2 SER 61 78.929 -7.662 4.110 541 2HB SER 61 HB1 SER 61 77.448 -8.364 3.464 542 HG SER 61 HG SER 61 79.317 -9.421 5.160 543 H PHE 62 HN PHE 62 80.638 -6.752 2.632 544 HA PHE 62 HA PHE 62 83.204 -8.280 2.959 545 1HB PHE 62 HB2 PHE 62 83.077 -6.980 0.815 546 2HB PHE 62 HB1 PHE 62 82.832 -5.513 1.759 547 HD1 PHE 62 HD1 PHE 62 85.163 -8.460 1.696 548 HD2 PHE 62 HD2 PHE 62 84.733 -4.219 2.208 549 HE1 PHE 62 HE1 PHE 62 87.612 -8.250 1.990 550 HE2 PHE 62 HE2 PHE 62 87.189 -4.010 2.496 551 HZ PHE 62 HZ PHE 62 88.626 -6.024 2.388 552 H THR 63 HN THR 63 84.463 -7.631 4.742 553 HA THR 63 HA THR 63 83.437 -5.320 6.375 554 HB THR 63 HB THR 63 84.122 -8.129 7.280 555 HG1 THR 63 HG1 THR 63 82.035 -7.934 8.186 556 1HG2 THR 63 HG21 THR 63 85.190 -6.880 8.951 557 2HG2 THR 63 HG22 THR 63 83.561 -7.061 9.602 558 3HG2 THR 63 HG23 THR 63 84.036 -5.548 8.830 559 H LEU 64 HN LEU 64 85.051 -4.013 7.180 560 HA LEU 64 HA LEU 64 87.880 -4.996 7.015 561 1HB LEU 64 HB2 LEU 64 88.376 -2.459 6.502 562 2HB LEU 64 HB1 LEU 64 87.926 -3.546 5.193 563 HG LEU 64 HG LEU 64 85.732 -2.125 6.668 564 1HD1 LEU 64 HD11 LEU 64 87.651 -0.856 4.714 565 2HD1 LEU 64 HD12 LEU 64 87.107 -0.240 6.274 566 3HD1 LEU 64 HD13 LEU 64 86.001 -0.262 4.902 567 1HD2 LEU 64 HD21 LEU 64 85.913 -2.465 3.683 568 2HD2 LEU 64 HD22 LEU 64 84.497 -2.522 4.728 569 3HD2 LEU 64 HD23 LEU 64 85.600 -3.892 4.669 570 H ASP 65 HN ASP 65 89.329 -3.848 8.509 571 HA ASP 65 HA ASP 65 87.898 -2.576 10.827 572 1HB ASP 65 HB2 ASP 65 88.509 -4.958 11.322 573 2HB ASP 65 HB1 ASP 65 90.196 -4.540 11.028 574 H PHE 66 HN PHE 66 88.820 -0.728 11.518 575 HA PHE 66 HA PHE 66 91.458 0.067 10.345 576 1HB PHE 66 HB2 PHE 66 89.179 1.675 11.537 577 2HB PHE 66 HB1 PHE 66 90.723 2.374 11.051 578 HD1 PHE 66 HD1 PHE 66 91.521 1.658 8.598 579 HD2 PHE 66 HD2 PHE 66 87.447 1.672 9.957 580 HE1 PHE 66 HE1 PHE 66 90.738 1.794 6.250 581 HE2 PHE 66 HE2 PHE 66 86.665 1.804 7.608 582 HZ PHE 66 HZ PHE 66 88.312 1.863 5.755 583 H GLY 67 HN GLY 67 90.134 -1.226 13.091 584 1HA GLY 67 HA2 GLY 67 91.179 -1.645 15.175 585 2HA GLY 67 HA1 GLY 67 92.503 -0.585 14.685 586 H ASP 68 HN ASP 68 89.793 1.133 14.025 587 HA ASP 68 HA ASP 68 90.086 2.724 16.496 588 1HB ASP 68 HB2 ASP 68 88.178 3.390 14.272 589 2HB ASP 68 HB1 ASP 68 89.092 4.474 15.315 590 H TYR 69 HN TYR 69 89.020 1.373 18.050 591 HA TYR 69 HA TYR 69 86.560 0.084 17.826 592 1HB TYR 69 HB2 TYR 69 87.866 -0.111 19.856 593 2HB TYR 69 HB1 TYR 69 87.701 1.614 20.181 594 HD1 TYR 69 HD1 TYR 69 85.802 2.472 21.313 595 HD2 TYR 69 HD2 TYR 69 85.776 -1.556 19.829 596 HE1 TYR 69 HE1 TYR 69 83.674 2.045 22.516 597 HE2 TYR 69 HE2 TYR 69 83.650 -1.988 21.033 598 HH TYR 69 HH TYR 69 81.818 0.568 22.496 599 H GLN 70 HN GLN 70 87.200 3.505 18.416 600 HA GLN 70 HA GLN 70 84.607 4.441 18.966 601 1HB GLN 70 HB2 GLN 70 86.507 5.876 17.091 602 2HB GLN 70 HB1 GLN 70 85.330 6.585 18.190 603 1HG GLN 70 HG2 GLN 70 87.764 5.017 19.043 604 2HG GLN 70 HG1 GLN 70 87.642 6.768 19.042 605 1HE2 GLN 70 HE21 GLN 70 86.862 7.696 20.946 606 2HE2 GLN 70 HE22 GLN 70 86.001 6.863 22.148 607 H ASP 71 HN ASP 71 86.123 4.636 15.759 608 HA ASP 71 HA ASP 71 83.678 4.952 14.344 609 1HB ASP 71 HB2 ASP 71 86.116 5.359 13.576 610 2HB ASP 71 HB1 ASP 71 86.124 3.649 13.170 611 H GLY 72 HN GLY 72 85.415 2.139 15.459 612 1HA GLY 72 HA2 GLY 72 84.680 -0.088 15.643 613 2HA GLY 72 HA1 GLY 72 83.099 0.449 15.081 614 H TYR 73 HN TYR 73 83.633 -1.833 13.991 615 HA TYR 73 HA TYR 73 85.364 -1.789 11.678 616 1HB TYR 73 HB2 TYR 73 82.981 -3.601 12.091 617 2HB TYR 73 HB1 TYR 73 84.435 -3.927 11.155 618 HD1 TYR 73 HD1 TYR 73 86.668 -3.986 12.384 619 HD2 TYR 73 HD2 TYR 73 82.883 -4.169 14.385 620 HE1 TYR 73 HE1 TYR 73 87.779 -4.941 14.387 621 HE2 TYR 73 HE2 TYR 73 83.986 -5.121 16.394 622 HH TYR 73 HH TYR 73 85.886 -5.917 17.240 623 H TYR 74 HN TYR 74 84.490 -2.067 9.433 624 HA TYR 74 HA TYR 74 81.948 -0.577 8.955 625 1HB TYR 74 HB2 TYR 74 83.902 0.924 8.578 626 2HB TYR 74 HB1 TYR 74 84.537 -0.244 7.422 627 HD1 TYR 74 HD1 TYR 74 81.684 2.040 8.115 628 HD2 TYR 74 HD2 TYR 74 83.692 -0.384 5.197 629 HE1 TYR 74 HE1 TYR 74 80.280 3.028 6.328 630 HE2 TYR 74 HE2 TYR 74 82.291 0.603 3.407 631 HH TYR 74 HH TYR 74 80.162 1.725 3.154 632 H SER 75 HN SER 75 80.705 -2.177 8.127 633 HA SER 75 HA SER 75 81.808 -3.808 5.880 634 1HB SER 75 HB2 SER 75 81.593 -5.123 8.014 635 2HB SER 75 HB1 SER 75 79.864 -4.795 7.981 636 HG SER 75 HG SER 75 79.709 -6.385 6.630 637 H VAL 76 HN VAL 76 80.273 -4.459 4.311 638 HA VAL 76 HA VAL 76 77.550 -3.317 4.436 639 HB VAL 76 HB VAL 76 77.864 -2.146 2.241 640 1HG1 VAL 76 HG11 VAL 76 78.814 -0.180 3.194 641 2HG1 VAL 76 HG12 VAL 76 79.822 -1.111 4.301 642 3HG1 VAL 76 HG13 VAL 76 78.078 -1.041 4.544 643 1HG2 VAL 76 HG21 VAL 76 79.868 -3.439 1.526 644 2HG2 VAL 76 HG22 VAL 76 80.806 -2.662 2.801 645 3HG2 VAL 76 HG23 VAL 76 80.156 -1.701 1.474 646 H GLN 77 HN GLN 77 76.386 -3.925 2.291 647 HA GLN 77 HA GLN 77 76.855 -6.764 1.859 648 1HB GLN 77 HB2 GLN 77 74.868 -4.747 0.815 649 2HB GLN 77 HB1 GLN 77 74.926 -6.381 0.164 650 1HG GLN 77 HG2 GLN 77 74.682 -7.243 2.522 651 2HG GLN 77 HG1 GLN 77 74.422 -5.579 3.041 652 1HE2 GLN 77 HE21 GLN 77 73.179 -5.916 -0.080 653 2HE2 GLN 77 HE22 GLN 77 71.557 -6.213 0.322 654 H THR 78 HN THR 78 77.923 -7.683 0.159 655 HA THR 78 HA THR 78 78.437 -6.133 -2.301 656 HB THR 78 HB THR 78 80.781 -6.223 -2.211 657 HG1 THR 78 HG1 THR 78 80.445 -8.046 -0.067 658 1HG2 THR 78 HG21 THR 78 79.968 -5.813 0.682 659 2HG2 THR 78 HG22 THR 78 79.862 -4.583 -0.577 660 3HG2 THR 78 HG23 THR 78 81.433 -5.208 -0.088 661 H THR 79 HN THR 79 78.216 -7.487 -3.979 662 HA THR 79 HA THR 79 77.913 -10.359 -3.537 663 HB THR 79 HB THR 79 77.997 -8.746 -6.103 664 HG1 THR 79 HG1 THR 79 76.209 -8.820 -4.200 665 1HG2 THR 79 HG21 THR 79 78.445 -11.038 -6.620 666 2HG2 THR 79 HG22 THR 79 76.737 -10.776 -6.974 667 3HG2 THR 79 HG23 THR 79 77.214 -11.601 -5.490 668 H GLU 80 HN GLU 80 80.405 -8.165 -4.432 669 HA GLU 80 HA GLU 80 82.214 -10.421 -5.205 670 1HB GLU 80 HB2 GLU 80 82.415 -7.481 -5.915 671 2HB GLU 80 HB1 GLU 80 83.526 -8.747 -6.434 672 1HG GLU 80 HG2 GLU 80 81.486 -9.918 -7.445 673 2HG GLU 80 HG1 GLU 80 80.621 -8.407 -7.187 674 H GLY 81 HN GLY 81 81.571 -9.476 -2.484 675 1HA GLY 81 HA2 GLY 81 83.475 -7.778 -1.337 676 2HA GLY 81 HA1 GLY 81 82.813 -9.182 -0.501 677 H GLU 82 HN GLU 82 83.995 -10.735 -2.946 678 HA GLU 82 HA GLU 82 86.491 -11.431 -1.601 679 1HB GLU 82 HB2 GLU 82 85.348 -13.267 -2.582 680 2HB GLU 82 HB1 GLU 82 85.064 -12.391 -4.080 681 1HG GLU 82 HG2 GLU 82 87.291 -12.610 -4.781 682 2HG GLU 82 HG1 GLU 82 87.859 -13.004 -3.166 683 H GLN 83 HN GLN 83 85.704 -10.300 -4.880 684 HA GLN 83 HA GLN 83 88.320 -9.726 -5.736 685 1HB GLN 83 HB2 GLN 83 85.899 -8.051 -6.403 686 2HB GLN 83 HB1 GLN 83 87.336 -8.270 -7.385 687 1HG GLN 83 HG2 GLN 83 86.785 -10.559 -7.820 688 2HG GLN 83 HG1 GLN 83 85.507 -10.537 -6.618 689 1HE2 GLN 83 HE21 GLN 83 83.881 -11.086 -8.205 690 2HE2 GLN 83 HE22 GLN 83 83.338 -9.947 -9.338 691 H ILE 84 HN ILE 84 86.003 -7.658 -4.055 692 HA ILE 84 HA ILE 84 87.590 -5.322 -3.855 693 HB ILE 84 HB ILE 84 85.730 -6.456 -1.736 694 1HG1 ILE 84 HG12 ILE 84 85.174 -4.693 -4.144 695 2HG1 ILE 84 HG11 ILE 84 84.617 -6.351 -3.918 696 1HG2 ILE 84 HG21 ILE 84 87.207 -4.522 -1.069 697 2HG2 ILE 84 HG22 ILE 84 85.486 -4.158 -1.007 698 3HG2 ILE 84 HG23 ILE 84 86.461 -3.579 -2.357 699 1HD1 ILE 84 HD11 ILE 84 82.760 -5.031 -3.284 700 2HD1 ILE 84 HD12 ILE 84 83.772 -3.869 -2.426 701 3HD1 ILE 84 HD13 ILE 84 83.508 -5.476 -1.750 702 H ALA 85 HN ALA 85 87.751 -8.397 -2.226 703 HA ALA 85 HA ALA 85 89.697 -7.477 -0.219 704 1HB ALA 85 HB1 ALA 85 89.140 -10.370 -0.859 705 2HB ALA 85 HB2 ALA 85 87.930 -9.404 -0.020 706 3HB ALA 85 HB3 ALA 85 89.525 -9.628 0.696 707 H GLN 86 HN GLN 86 89.662 -9.059 -3.351 708 HA GLN 86 HA GLN 86 92.491 -9.797 -3.239 709 1HB GLN 86 HB2 GLN 86 90.638 -10.966 -4.588 710 2HB GLN 86 HB1 GLN 86 90.784 -9.628 -5.713 711 1HG GLN 86 HG2 GLN 86 93.290 -10.141 -5.751 712 2HG GLN 86 HG1 GLN 86 92.876 -11.653 -4.957 713 1HE2 GLN 86 HE21 GLN 86 93.970 -12.119 -7.340 714 2HE2 GLN 86 HE22 GLN 86 92.816 -12.461 -8.531 715 H LEU 87 HN LEU 87 90.510 -7.247 -4.604 716 HA LEU 87 HA LEU 87 92.612 -5.981 -6.100 717 1HB LEU 87 HB2 LEU 87 90.253 -5.504 -6.580 718 2HB LEU 87 HB1 LEU 87 90.029 -4.880 -4.948 719 HG LEU 87 HG LEU 87 91.590 -3.053 -5.389 720 1HD1 LEU 87 HD11 LEU 87 92.023 -4.584 -7.953 721 2HD1 LEU 87 HD12 LEU 87 93.216 -3.860 -6.875 722 3HD1 LEU 87 HD13 LEU 87 92.256 -2.836 -7.939 723 1HD2 LEU 87 HD21 LEU 87 89.337 -2.533 -5.952 724 2HD2 LEU 87 HD22 LEU 87 89.402 -3.492 -7.431 725 3HD2 LEU 87 HD23 LEU 87 90.296 -1.976 -7.323 726 H ILE 88 HN ILE 88 91.252 -5.584 -2.888 727 HA ILE 88 HA ILE 88 93.009 -3.407 -2.130 728 HB ILE 88 HB ILE 88 91.180 -5.283 -0.620 729 1HG1 ILE 88 HG12 ILE 88 91.089 -2.279 -1.049 730 2HG1 ILE 88 HG11 ILE 88 90.236 -3.446 -2.058 731 1HG2 ILE 88 HG21 ILE 88 93.052 -3.149 0.438 732 2HG2 ILE 88 HG22 ILE 88 92.887 -4.816 0.984 733 3HG2 ILE 88 HG23 ILE 88 91.616 -3.647 1.331 734 1HD1 ILE 88 HD11 ILE 88 88.625 -2.757 -0.467 735 2HD1 ILE 88 HD12 ILE 88 89.787 -2.816 0.858 736 3HD1 ILE 88 HD13 ILE 88 89.196 -4.312 0.136 737 H ALA 89 HN ALA 89 92.863 -6.873 -1.277 738 HA ALA 89 HA ALA 89 95.257 -6.954 0.249 739 1HB ALA 89 HB1 ALA 89 95.273 -9.372 -0.239 740 2HB ALA 89 HB2 ALA 89 94.077 -9.125 -1.511 741 3HB ALA 89 HB3 ALA 89 93.649 -8.825 0.174 742 H GLY 90 HN GLY 90 94.753 -6.522 -3.112 743 1HA GLY 90 HA2 GLY 90 97.425 -7.488 -3.894 744 2HA GLY 90 HA1 GLY 90 96.223 -6.776 -4.967 745 H TYR 91 HN TYR 91 95.907 -4.432 -3.039 746 HA TYR 91 HA TYR 91 98.113 -2.861 -4.194 747 1HB TYR 91 HB2 TYR 91 95.647 -2.196 -2.588 748 2HB TYR 91 HB1 TYR 91 96.909 -0.991 -2.805 749 HD1 TYR 91 HD1 TYR 91 93.862 -1.952 -4.059 750 HD2 TYR 91 HD2 TYR 91 97.823 -1.019 -5.457 751 HE1 TYR 91 HE1 TYR 91 92.947 -1.361 -6.279 752 HE2 TYR 91 HE2 TYR 91 96.901 -0.451 -7.679 753 HH TYR 91 HH TYR 91 94.974 0.045 -8.795 754 H ILE 92 HN ILE 92 97.216 -4.228 -1.110 755 HA ILE 92 HA ILE 92 98.926 -2.651 0.543 756 HB ILE 92 HB ILE 92 97.994 -5.507 0.902 757 1HG1 ILE 92 HG12 ILE 92 96.850 -2.900 1.958 758 2HG1 ILE 92 HG11 ILE 92 96.208 -3.769 0.563 759 1HG2 ILE 92 HG21 ILE 92 98.345 -4.929 3.345 760 2HG2 ILE 92 HG22 ILE 92 99.174 -3.468 2.808 761 3HG2 ILE 92 HG23 ILE 92 99.832 -5.052 2.404 762 1HD1 ILE 92 HD11 ILE 92 94.872 -4.496 2.383 763 2HD1 ILE 92 HD12 ILE 92 96.267 -4.652 3.451 764 3HD1 ILE 92 HD13 ILE 92 96.030 -5.802 2.137 765 H ASP 93 HN ASP 93 99.558 -5.326 -1.590 766 HA ASP 93 HA ASP 93 102.204 -5.886 -0.434 767 1HB ASP 93 HB2 ASP 93 100.677 -6.925 -2.825 768 2HB ASP 93 HB1 ASP 93 102.353 -7.375 -2.522 769 H ILE 94 HN ILE 94 100.850 -3.838 -2.870 770 HA ILE 94 HA ILE 94 103.400 -3.482 -4.296 771 HB ILE 94 HB ILE 94 100.776 -1.999 -4.582 772 1HG1 ILE 94 HG12 ILE 94 101.912 -4.267 -6.249 773 2HG1 ILE 94 HG11 ILE 94 100.701 -4.495 -4.987 774 1HG2 ILE 94 HG21 ILE 94 102.513 -0.682 -5.553 775 2HG2 ILE 94 HG22 ILE 94 101.804 -1.569 -6.900 776 3HG2 ILE 94 HG23 ILE 94 103.332 -2.103 -6.199 777 1HD1 ILE 94 HD11 ILE 94 100.431 -2.943 -7.566 778 2HD1 ILE 94 HD12 ILE 94 99.299 -2.744 -6.229 779 3HD1 ILE 94 HD13 ILE 94 99.469 -4.313 -7.016 780 H ILE 95 HN ILE 95 101.697 -1.990 -1.671 781 HA ILE 95 HA ILE 95 103.152 0.561 -1.905 782 HB ILE 95 HB ILE 95 102.100 1.034 0.319 783 1HG1 ILE 95 HG12 ILE 95 100.925 -1.730 -0.111 784 2HG1 ILE 95 HG11 ILE 95 102.021 -1.252 1.185 785 1HG2 ILE 95 HG21 ILE 95 100.078 -0.041 -1.655 786 2HG2 ILE 95 HG22 ILE 95 100.987 1.443 -1.940 787 3HG2 ILE 95 HG23 ILE 95 99.897 1.328 -0.558 788 1HD1 ILE 95 HD11 ILE 95 100.279 0.495 1.840 789 2HD1 ILE 95 HD12 ILE 95 99.830 -1.184 2.137 790 3HD1 ILE 95 HD13 ILE 95 99.175 -0.331 0.740 791 H LEU 96 HN LEU 96 103.355 -2.440 -0.127 792 HA LEU 96 HA LEU 96 105.482 -1.499 1.644 793 1HB LEU 96 HB2 LEU 96 104.018 -4.062 1.132 794 2HB LEU 96 HB1 LEU 96 105.567 -4.162 1.970 795 HG LEU 96 HG LEU 96 103.501 -2.163 2.900 796 1HD1 LEU 96 HD11 LEU 96 102.185 -4.152 2.882 797 2HD1 LEU 96 HD12 LEU 96 102.769 -3.989 4.538 798 3HD1 LEU 96 HD13 LEU 96 103.536 -5.138 3.440 799 1HD2 LEU 96 HD21 LEU 96 105.766 -2.081 3.869 800 2HD2 LEU 96 HD22 LEU 96 105.660 -3.789 4.291 801 3HD2 LEU 96 HD23 LEU 96 104.606 -2.618 5.082 802 H LYS 97 HN LYS 97 105.258 -2.993 -1.479 803 HA LYS 97 HA LYS 97 107.897 -4.122 -1.583 804 1HB LYS 97 HB2 LYS 97 106.131 -4.750 -3.169 805 2HB LYS 97 HB1 LYS 97 106.131 -3.116 -3.822 806 1HG LYS 97 HG2 LYS 97 108.811 -4.416 -3.773 807 2HG LYS 97 HG1 LYS 97 107.645 -5.187 -4.839 808 1HD LYS 97 HD2 LYS 97 107.344 -3.234 -6.133 809 2HD LYS 97 HD1 LYS 97 108.069 -2.208 -4.900 810 1HE LYS 97 HE2 LYS 97 109.587 -2.645 -6.853 811 2HE LYS 97 HE1 LYS 97 110.262 -3.164 -5.309 812 1HZ LYS 97 HZ1 LYS 97 110.372 -4.775 -7.267 813 2HZ LYS 97 HZ2 LYS 97 108.712 -5.022 -7.002 814 3HZ LYS 97 HZ3 LYS 97 109.833 -5.382 -5.777 815 H LYS 98 HN LYS 98 106.674 -0.875 -1.984 816 HA LYS 98 HA LYS 98 108.971 0.175 -3.385 817 1HB LYS 98 HB2 LYS 98 107.067 1.687 -1.580 818 2HB LYS 98 HB1 LYS 98 108.042 2.346 -2.892 819 1HG LYS 98 HG2 LYS 98 105.838 0.295 -3.242 820 2HG LYS 98 HG1 LYS 98 105.661 2.021 -3.549 821 1HD LYS 98 HD2 LYS 98 107.703 1.734 -5.133 822 2HD LYS 98 HD1 LYS 98 107.344 0.009 -5.040 823 1HE LYS 98 HE2 LYS 98 106.180 0.863 -6.962 824 2HE LYS 98 HE1 LYS 98 104.969 0.563 -5.716 825 1HZ LYS 98 HZ1 LYS 98 105.883 3.132 -5.295 826 2HZ LYS 98 HZ2 LYS 98 104.374 2.670 -5.924 827 3HZ LYS 98 HZ3 LYS 98 105.669 3.003 -6.972 828 H LYS 99 HN LYS 99 107.961 0.330 0.042 829 HA LYS 99 HA LYS 99 110.417 1.554 0.904 830 1HB LYS 99 HB2 LYS 99 108.500 -0.064 2.580 831 2HB LYS 99 HB1 LYS 99 109.617 1.176 3.142 832 1HG LYS 99 HG2 LYS 99 108.399 2.839 1.715 833 2HG LYS 99 HG1 LYS 99 107.217 1.585 1.339 834 1HD LYS 99 HD2 LYS 99 106.635 1.367 3.696 835 2HD LYS 99 HD1 LYS 99 107.893 2.520 4.143 836 1HE LYS 99 HE2 LYS 99 105.481 3.121 2.403 837 2HE LYS 99 HE1 LYS 99 105.691 3.623 4.081 838 1HZ LYS 99 HZ1 LYS 99 107.817 4.711 3.272 839 2HZ LYS 99 HZ2 LYS 99 106.356 5.449 2.817 840 3HZ LYS 99 HZ3 LYS 99 107.213 4.497 1.702 841 H LYS 100 HN LYS 100 109.212 -1.802 1.014 842 HA LYS 100 HA LYS 100 111.797 -2.763 2.042 843 1HB LYS 100 HB2 LYS 100 109.299 -4.229 1.142 844 2HB LYS 100 HB1 LYS 100 110.714 -5.006 1.854 845 1HG LYS 100 HG2 LYS 100 110.425 -3.436 3.839 846 2HG LYS 100 HG1 LYS 100 108.861 -2.997 3.152 847 1HD LYS 100 HD2 LYS 100 108.118 -5.318 3.252 848 2HD LYS 100 HD1 LYS 100 109.705 -5.829 3.828 849 1HE LYS 100 HE2 LYS 100 108.027 -3.792 5.305 850 2HE LYS 100 HE1 LYS 100 107.911 -5.523 5.625 851 1HZ LYS 100 HZ1 LYS 100 109.533 -4.999 7.092 852 2HZ LYS 100 HZ2 LYS 100 110.087 -3.665 6.196 853 3HZ LYS 100 HZ3 LYS 100 110.522 -5.242 5.736 854 1H SER 1 HT1 SER 1 87.401 -16.917 12.365 855 2H SER 1 HT2 SER 1 87.073 -18.538 11.974 856 3H SER 1 HT3 SER 1 86.028 -17.306 11.447 857 HA SER 1 HA SER 1 88.767 -17.913 10.507 858 1HB SER 1 HB2 SER 1 87.500 -17.745 8.290 859 2HB SER 1 HB1 SER 1 87.100 -19.126 9.307 860 HG SER 1 HG SER 1 85.218 -18.195 9.848 861 H TRP 2 HN TRP 2 89.893 -16.277 9.444 862 HA TRP 2 HA TRP 2 88.644 -13.718 8.815 863 1HB TRP 2 HB2 TRP 2 90.268 -14.094 11.315 864 2HB TRP 2 HB1 TRP 2 90.501 -12.599 10.417 865 HD1 TRP 2 HD1 TRP 2 88.095 -14.362 12.692 866 HE1 TRP 2 HE1 TRP 2 86.093 -12.813 13.192 867 HE3 TRP 2 HE3 TRP 2 88.972 -10.673 9.284 868 HZ2 TRP 2 HZ2 TRP 2 85.014 -10.328 12.265 869 HZ3 TRP 2 HZ3 TRP 2 87.450 -8.724 9.113 870 HH2 TRP 2 HH2 TRP 2 85.479 -8.548 10.598 871 H VAL 3 HN VAL 3 90.608 -12.114 8.305 872 HA VAL 3 HA VAL 3 92.970 -13.507 7.243 873 HB VAL 3 HB VAL 3 91.492 -13.750 5.362 874 1HG1 VAL 3 HG11 VAL 3 90.299 -11.769 4.429 875 2HG1 VAL 3 HG12 VAL 3 90.868 -10.828 5.806 876 3HG1 VAL 3 HG13 VAL 3 89.767 -12.184 6.060 877 1HG2 VAL 3 HG21 VAL 3 92.974 -11.207 4.685 878 2HG2 VAL 3 HG22 VAL 3 92.747 -12.652 3.701 879 3HG2 VAL 3 HG23 VAL 3 93.866 -12.683 5.066 880 1HN PTR 4 HN PTR 4 94.734 -12.127 7.224 881 HA PTR 4 HA PTR 4 94.216 -9.263 7.993 882 1HB PTR 4 HB1 PTR 4 96.531 -9.487 9.088 883 2HB PTR 4 HB2 PTR 4 96.341 -11.226 8.871 884 HD1 PTR 4 HD1 PTR 4 93.945 -12.165 9.652 885 HD2 PTR 4 HD2 PTR 4 95.783 -8.559 11.102 886 HE1 PTR 4 HE1 PTR 4 92.548 -12.272 11.692 887 HE2 PTR 4 HE2 PTR 4 94.381 -8.670 13.143 888 H SER 5 HN SER 5 96.793 -8.322 7.737 889 HA SER 5 HA SER 5 97.559 -8.851 4.899 890 1HB SER 5 HB2 SER 5 97.020 -6.716 4.271 891 2HB SER 5 HB1 SER 5 96.203 -6.555 5.819 892 HG SER 5 HG SER 5 98.696 -5.642 4.988 893 HA PRO 6 HA PRO 6 101.689 -8.884 6.432 894 1HB PRO 6 HB2 PRO 6 102.921 -7.102 4.548 895 2HB PRO 6 HB1 PRO 6 102.844 -8.866 4.452 896 1HG PRO 6 HG2 PRO 6 101.335 -6.894 2.893 897 2HG PRO 6 HG1 PRO 6 101.450 -8.642 2.644 898 1HD PRO 6 HD2 PRO 6 99.197 -7.219 3.669 899 2HD PRO 6 HD1 PRO 6 99.410 -8.981 3.622 900 H LEU 7 HN LEU 7 100.136 -5.801 5.828 901 HA LEU 7 HA LEU 7 101.871 -3.944 6.930 902 1HB LEU 7 HB2 LEU 7 98.877 -4.180 7.337 903 2HB LEU 7 HB1 LEU 7 99.814 -2.752 7.759 904 HG LEU 7 HG LEU 7 99.963 -3.896 4.968 905 1HD1 LEU 7 HD11 LEU 7 97.618 -3.597 5.166 906 2HD1 LEU 7 HD12 LEU 7 98.184 -2.100 4.428 907 3HD1 LEU 7 HD13 LEU 7 97.802 -2.146 6.149 908 1HD2 LEU 7 HD21 LEU 7 100.365 -1.449 4.455 909 2HD2 LEU 7 HD22 LEU 7 101.601 -2.178 5.475 910 3HD2 LEU 7 HD23 LEU 7 100.364 -1.141 6.190 911 H HIS 8 HN HIS 8 102.978 -3.989 8.817 912 HA HIS 8 HA HIS 8 102.472 -5.820 10.931 913 1HB HIS 8 HB2 HIS 8 103.972 -4.228 12.258 914 2HB HIS 8 HB1 HIS 8 104.660 -4.879 10.771 915 HD1 HIS 8 HD1 HIS 8 103.074 -1.734 12.155 916 HD2 HIS 8 HD2 HIS 8 105.217 -2.962 8.797 917 HE1 HIS 8 HE1 HIS 8 103.654 0.369 10.868 Start of MODEL 14 1 1H LEU 1 HT1 LEU 1 92.130 16.438 -7.426 2 2H LEU 1 HT2 LEU 1 92.080 15.663 -5.915 3 3H LEU 1 HT3 LEU 1 90.637 16.047 -6.725 4 HA LEU 1 HA LEU 1 91.392 14.537 -8.565 5 1HB LEU 1 HB2 LEU 1 93.219 13.487 -6.391 6 2HB LEU 1 HB1 LEU 1 93.127 12.955 -8.069 7 HG LEU 1 HG LEU 1 93.996 15.722 -7.176 8 1HD1 LEU 1 HD11 LEU 1 95.542 13.266 -8.030 9 2HD1 LEU 1 HD12 LEU 1 95.713 14.188 -6.536 10 3HD1 LEU 1 HD13 LEU 1 96.236 14.887 -8.069 11 1HD2 LEU 1 HD21 LEU 1 93.741 14.350 -9.861 12 2HD2 LEU 1 HD22 LEU 1 94.827 15.720 -9.629 13 3HD2 LEU 1 HD23 LEU 1 93.095 15.915 -9.367 14 H LYS 2 HN LYS 2 89.318 14.957 -6.680 15 HA LYS 2 HA LYS 2 88.892 12.603 -5.078 16 1HB LYS 2 HB2 LYS 2 87.109 14.834 -6.048 17 2HB LYS 2 HB1 LYS 2 86.469 13.478 -5.120 18 1HG LYS 2 HG2 LYS 2 87.084 15.429 -3.692 19 2HG LYS 2 HG1 LYS 2 87.971 13.967 -3.276 20 1HD LYS 2 HD2 LYS 2 89.961 14.741 -4.288 21 2HD LYS 2 HD1 LYS 2 89.112 15.985 -5.205 22 1HE LYS 2 HE2 LYS 2 89.372 15.946 -2.185 23 2HE LYS 2 HE1 LYS 2 90.366 16.923 -3.266 24 1HZ LYS 2 HZ1 LYS 2 87.747 17.425 -2.310 25 2HZ LYS 2 HZ2 LYS 2 87.749 17.383 -4.009 26 3HZ LYS 2 HZ3 LYS 2 88.781 18.449 -3.181 27 H THR 3 HN THR 3 89.345 12.580 -8.197 28 HA THR 3 HA THR 3 87.464 10.348 -8.656 29 HB THR 3 HB THR 3 86.104 12.116 -9.507 30 HG1 THR 3 HG1 THR 3 87.537 10.600 -11.334 31 1HG2 THR 3 HG21 THR 3 88.695 13.151 -10.662 32 2HG2 THR 3 HG22 THR 3 87.599 13.962 -9.543 33 3HG2 THR 3 HG23 THR 3 87.125 13.724 -11.225 34 H TYR 4 HN TYR 4 90.152 10.113 -8.308 35 HA TYR 4 HA TYR 4 91.554 10.204 -10.875 36 1HB TYR 4 HB2 TYR 4 92.512 10.356 -8.412 37 2HB TYR 4 HB1 TYR 4 92.516 8.600 -8.511 38 HD1 TYR 4 HD1 TYR 4 93.922 11.710 -9.885 39 HD2 TYR 4 HD2 TYR 4 93.997 7.426 -10.050 40 HE1 TYR 4 HE1 TYR 4 96.029 11.802 -11.192 41 HE2 TYR 4 HE2 TYR 4 96.106 7.510 -11.354 42 HH TYR 4 HH TYR 4 98.071 9.311 -11.556 43 H GLY 5 HN GLY 5 92.750 7.911 -11.357 44 1HA GLY 5 HA2 GLY 5 90.694 6.175 -12.325 45 2HA GLY 5 HA1 GLY 5 92.410 5.777 -12.275 46 H VAL 6 HN VAL 6 89.632 6.114 -10.066 47 HA VAL 6 HA VAL 6 90.782 3.944 -8.353 48 HB VAL 6 HB VAL 6 88.582 5.958 -7.774 49 1HG1 VAL 6 HG11 VAL 6 89.928 3.829 -6.089 50 2HG1 VAL 6 HG12 VAL 6 88.217 3.945 -6.498 51 3HG1 VAL 6 HG13 VAL 6 88.946 5.129 -5.414 52 1HG2 VAL 6 HG21 VAL 6 90.357 6.814 -6.147 53 2HG2 VAL 6 HG22 VAL 6 90.677 7.121 -7.853 54 3HG2 VAL 6 HG23 VAL 6 91.512 5.809 -7.021 55 H SER 7 HN SER 7 89.620 2.037 -8.069 56 HA SER 7 HA SER 7 87.415 1.561 -9.955 57 1HB SER 7 HB2 SER 7 88.396 -0.410 -7.898 58 2HB SER 7 HB1 SER 7 87.686 -0.721 -9.476 59 HG SER 7 HG SER 7 89.748 0.724 -10.000 60 H PHE 8 HN PHE 8 85.393 2.034 -9.389 61 HA PHE 8 HA PHE 8 84.608 2.164 -6.510 62 1HB PHE 8 HB2 PHE 8 82.468 3.133 -7.623 63 2HB PHE 8 HB1 PHE 8 83.931 4.113 -7.657 64 HD1 PHE 8 HD1 PHE 8 81.598 2.093 -9.640 65 HD2 PHE 8 HD2 PHE 8 85.254 4.346 -9.718 66 HE1 PHE 8 HE1 PHE 8 81.530 2.118 -12.120 67 HE2 PHE 8 HE2 PHE 8 85.187 4.369 -12.197 68 HZ PHE 8 HZ PHE 8 83.325 3.256 -13.398 69 H PHE 9 HN PHE 9 83.618 0.389 -5.668 70 HA PHE 9 HA PHE 9 82.295 -1.563 -7.515 71 1HB PHE 9 HB2 PHE 9 83.546 -1.755 -4.779 72 2HB PHE 9 HB1 PHE 9 82.313 -2.927 -5.238 73 HD1 PHE 9 HD1 PHE 9 85.214 -1.274 -6.981 74 HD2 PHE 9 HD2 PHE 9 83.215 -4.946 -5.987 75 HE1 PHE 9 HE1 PHE 9 86.924 -2.552 -8.244 76 HE2 PHE 9 HE2 PHE 9 84.921 -6.220 -7.256 77 HZ PHE 9 HZ PHE 9 86.775 -5.022 -8.386 78 H LEU 10 HN LEU 10 80.087 -1.868 -7.373 79 HA LEU 10 HA LEU 10 78.564 0.001 -5.710 80 1HB LEU 10 HB2 LEU 10 77.705 -0.445 -7.913 81 2HB LEU 10 HB1 LEU 10 77.733 -2.182 -7.638 82 HG LEU 10 HG LEU 10 76.131 -0.695 -5.608 83 1HD1 LEU 10 HD11 LEU 10 74.249 -0.201 -7.047 84 2HD1 LEU 10 HD12 LEU 10 75.104 -0.833 -8.455 85 3HD1 LEU 10 HD13 LEU 10 75.665 0.643 -7.673 86 1HD2 LEU 10 HD21 LEU 10 74.487 -2.496 -6.182 87 2HD2 LEU 10 HD22 LEU 10 76.067 -3.128 -5.728 88 3HD2 LEU 10 HD23 LEU 10 75.596 -3.072 -7.425 89 H VAL 11 HN VAL 11 78.039 -0.397 -3.692 90 HA VAL 11 HA VAL 11 77.526 -3.215 -2.815 91 HB VAL 11 HB VAL 11 78.622 -2.750 -0.702 92 1HG1 VAL 11 HG11 VAL 11 80.875 -2.752 -1.430 93 2HG1 VAL 11 HG12 VAL 11 80.528 -1.690 -2.795 94 3HG1 VAL 11 HG13 VAL 11 79.984 -3.367 -2.822 95 1HG2 VAL 11 HG21 VAL 11 78.165 -0.459 -0.297 96 2HG2 VAL 11 HG22 VAL 11 78.855 0.039 -1.841 97 3HG2 VAL 11 HG23 VAL 11 79.910 -0.508 -0.541 98 H LYS 12 HN LYS 12 75.928 -3.319 -1.098 99 HA LYS 12 HA LYS 12 74.162 -0.892 -1.043 100 1HB LYS 12 HB2 LYS 12 73.654 -3.826 -1.155 101 2HB LYS 12 HB1 LYS 12 72.568 -2.907 -0.116 102 1HG LYS 12 HG2 LYS 12 71.861 -1.508 -1.915 103 2HG LYS 12 HG1 LYS 12 73.162 -2.080 -2.972 104 1HD LYS 12 HD2 LYS 12 72.136 -4.383 -2.834 105 2HD LYS 12 HD1 LYS 12 70.778 -3.658 -1.974 106 1HE LYS 12 HE2 LYS 12 70.189 -3.797 -4.318 107 2HE LYS 12 HE1 LYS 12 70.460 -2.101 -3.920 108 1HZ LYS 12 HZ1 LYS 12 71.558 -3.111 -6.013 109 2HZ LYS 12 HZ2 LYS 12 72.689 -3.743 -4.914 110 3HZ LYS 12 HZ3 LYS 12 72.456 -2.064 -5.026 111 H GLU 13 HN GLU 13 73.174 -0.351 0.948 112 HA GLU 13 HA GLU 13 74.596 -1.389 3.383 113 1HB GLU 13 HB2 GLU 13 73.721 1.470 2.905 114 2HB GLU 13 HB1 GLU 13 74.639 0.857 4.279 115 1HG GLU 13 HG2 GLU 13 76.381 0.083 2.537 116 2HG GLU 13 HG1 GLU 13 75.535 1.141 1.410 117 H LYS 14 HN LYS 14 73.308 -1.104 5.362 118 HA LYS 14 HA LYS 14 70.382 -1.356 4.804 119 1HB LYS 14 HB2 LYS 14 72.278 -2.674 6.664 120 2HB LYS 14 HB1 LYS 14 70.768 -2.194 7.431 121 1HG LYS 14 HG2 LYS 14 70.540 -4.455 6.567 122 2HG LYS 14 HG1 LYS 14 69.518 -3.374 5.621 123 1HD LYS 14 HD2 LYS 14 71.019 -3.371 3.782 124 2HD LYS 14 HD1 LYS 14 72.334 -4.038 4.754 125 1HE LYS 14 HE2 LYS 14 69.771 -5.506 4.061 126 2HE LYS 14 HE1 LYS 14 71.329 -5.763 3.282 127 1HZ LYS 14 HZ1 LYS 14 72.019 -7.016 4.958 128 2HZ LYS 14 HZ2 LYS 14 70.414 -7.033 5.514 129 3HZ LYS 14 HZ3 LYS 14 71.516 -5.893 6.124 130 H MET 15 HN MET 15 69.347 0.504 5.153 131 HA MET 15 HA MET 15 70.385 2.627 6.798 132 1HB MET 15 HB2 MET 15 67.842 2.105 5.298 133 2HB MET 15 HB1 MET 15 67.851 3.400 6.478 134 1HG MET 15 HG2 MET 15 70.058 3.226 4.451 135 2HG MET 15 HG1 MET 15 68.508 3.946 4.011 136 1HE MET 15 HE1 MET 15 71.792 6.299 5.390 137 2HE MET 15 HE2 MET 15 71.272 5.490 3.914 138 3HE MET 15 HE3 MET 15 71.896 4.538 5.259 139 H LYS 16 HN LYS 16 69.551 3.377 8.793 140 HA LYS 16 HA LYS 16 69.475 2.373 11.070 141 1HB LYS 16 HB2 LYS 16 66.617 3.107 10.639 142 2HB LYS 16 HB1 LYS 16 67.736 3.627 11.891 143 1HG LYS 16 HG2 LYS 16 67.677 5.580 10.661 144 2HG LYS 16 HG1 LYS 16 68.978 4.771 9.803 145 1HD LYS 16 HD2 LYS 16 67.680 5.212 7.950 146 2HD LYS 16 HD1 LYS 16 66.821 3.754 8.448 147 1HE LYS 16 HE2 LYS 16 65.185 5.091 9.675 148 2HE LYS 16 HE1 LYS 16 66.068 6.570 9.300 149 1HZ LYS 16 HZ1 LYS 16 65.508 5.062 6.953 150 2HZ LYS 16 HZ2 LYS 16 65.124 6.677 7.315 151 3HZ LYS 16 HZ3 LYS 16 64.082 5.425 7.797 152 H GLY 17 HN GLY 17 66.389 1.469 9.523 153 1HA GLY 17 HA2 GLY 17 66.835 -1.343 10.345 154 2HA GLY 17 HA1 GLY 17 65.452 -0.515 11.058 155 H LYS 18 HN LYS 18 65.703 0.910 8.136 156 HA LYS 18 HA LYS 18 63.373 -0.229 7.049 157 1HB LYS 18 HB2 LYS 18 65.398 0.532 4.984 158 2HB LYS 18 HB1 LYS 18 63.735 1.076 5.189 159 1HG LYS 18 HG2 LYS 18 66.056 1.970 6.892 160 2HG LYS 18 HG1 LYS 18 65.387 2.885 5.560 161 1HD LYS 18 HD2 LYS 18 63.535 1.978 7.761 162 2HD LYS 18 HD1 LYS 18 64.567 3.368 8.033 163 1HE LYS 18 HE2 LYS 18 63.669 4.420 5.968 164 2HE LYS 18 HE1 LYS 18 62.589 3.041 5.762 165 1HZ LYS 18 HZ1 LYS 18 61.975 3.643 8.223 166 2HZ LYS 18 HZ2 LYS 18 61.240 4.439 6.914 167 3HZ LYS 18 HZ3 LYS 18 62.516 5.182 7.756 168 H ASN 19 HN ASN 19 62.935 -2.223 6.259 169 HA ASN 19 HA ASN 19 64.925 -4.271 6.055 170 1HB ASN 19 HB2 ASN 19 62.349 -4.502 6.231 171 2HB ASN 19 HB1 ASN 19 62.344 -4.257 4.490 172 1HD2 ASN 19 HD21 ASN 19 62.541 -6.148 3.280 173 2HD2 ASN 19 HD22 ASN 19 63.227 -7.596 3.840 174 H LYS 20 HN LYS 20 64.280 -1.573 4.267 175 HA LYS 20 HA LYS 20 64.827 -2.471 1.594 176 1HB LYS 20 HB2 LYS 20 63.956 -0.123 2.786 177 2HB LYS 20 HB1 LYS 20 65.554 0.323 2.217 178 1HG LYS 20 HG2 LYS 20 64.198 0.810 0.369 179 2HG LYS 20 HG1 LYS 20 64.820 -0.787 -0.016 180 1HD LYS 20 HD2 LYS 20 62.554 -1.133 -0.426 181 2HD LYS 20 HD1 LYS 20 62.637 -1.605 1.270 182 1HE LYS 20 HE2 LYS 20 62.083 0.858 1.800 183 2HE LYS 20 HE1 LYS 20 61.644 0.999 0.098 184 1HZ LYS 20 HZ1 LYS 20 60.011 -0.686 0.345 185 2HZ LYS 20 HZ2 LYS 20 59.773 0.424 1.609 186 3HZ LYS 20 HZ3 LYS 20 60.532 -1.065 1.914 187 H LEU 21 HN LEU 21 66.788 -1.055 0.569 188 HA LEU 21 HA LEU 21 69.274 -1.465 2.158 189 1HB LEU 21 HB2 LEU 21 69.273 -2.288 -0.753 190 2HB LEU 21 HB1 LEU 21 70.350 -2.787 0.542 191 HG LEU 21 HG LEU 21 67.431 -3.592 0.535 192 1HD1 LEU 21 HD11 LEU 21 69.727 -5.202 -0.595 193 2HD1 LEU 21 HD12 LEU 21 68.555 -4.333 -1.587 194 3HD1 LEU 21 HD13 LEU 21 68.025 -5.658 -0.553 195 1HD2 LEU 21 HD21 LEU 21 69.047 -3.758 2.581 196 2HD2 LEU 21 HD22 LEU 21 69.784 -5.082 1.686 197 3HD2 LEU 21 HD23 LEU 21 68.087 -5.172 2.153 198 H VAL 22 HN VAL 22 71.062 -0.145 1.256 199 HA VAL 22 HA VAL 22 70.058 2.064 -0.526 200 HB VAL 22 HB VAL 22 71.661 2.135 2.016 201 1HG1 VAL 22 HG11 VAL 22 71.797 4.108 -0.273 202 2HG1 VAL 22 HG12 VAL 22 73.130 3.371 0.614 203 3HG1 VAL 22 HG13 VAL 22 72.127 4.595 1.390 204 1HG2 VAL 22 HG21 VAL 22 69.328 2.597 2.289 205 2HG2 VAL 22 HG22 VAL 22 69.299 3.669 0.888 206 3HG2 VAL 22 HG23 VAL 22 70.146 4.158 2.349 207 HA PRO 23 HA PRO 23 73.542 0.332 -2.928 208 1HB PRO 23 HB2 PRO 23 72.998 2.591 -4.756 209 2HB PRO 23 HB1 PRO 23 72.993 0.874 -5.107 210 1HG PRO 23 HG2 PRO 23 70.711 2.446 -4.931 211 2HG PRO 23 HG1 PRO 23 70.726 0.691 -4.694 212 1HD PRO 23 HD2 PRO 23 70.426 2.836 -2.669 213 2HD PRO 23 HD1 PRO 23 69.983 1.114 -2.565 214 H ARG 24 HN ARG 24 75.698 1.049 -3.178 215 HA ARG 24 HA ARG 24 76.398 3.865 -2.641 216 1HB ARG 24 HB2 ARG 24 76.111 2.593 -0.395 217 2HB ARG 24 HB1 ARG 24 77.570 1.727 -0.853 218 1HG ARG 24 HG2 ARG 24 78.501 3.488 0.347 219 2HG ARG 24 HG1 ARG 24 78.524 4.175 -1.276 220 1HD ARG 24 HD2 ARG 24 77.576 5.869 0.104 221 2HD ARG 24 HD1 ARG 24 76.201 5.132 -0.716 222 HE ARG 24 HE ARG 24 76.408 3.682 1.627 223 1HH1 ARG 24 HH21 ARG 24 76.216 7.014 0.763 224 2HH1 ARG 24 HH22 ARG 24 75.391 7.478 2.213 225 1HH2 ARG 24 HH11 ARG 24 75.334 4.269 3.525 226 2HH2 ARG 24 HH12 ARG 24 74.894 5.925 3.777 227 H LEU 25 HN LEU 25 78.512 4.328 -3.425 228 HA LEU 25 HA LEU 25 79.775 2.111 -4.992 229 1HB LEU 25 HB2 LEU 25 79.905 5.123 -5.185 230 2HB LEU 25 HB1 LEU 25 80.967 4.074 -6.111 231 HG LEU 25 HG LEU 25 77.940 3.881 -6.174 232 1HD1 LEU 25 HD11 LEU 25 77.993 5.170 -8.235 233 2HD1 LEU 25 HD12 LEU 25 79.751 5.286 -8.160 234 3HD1 LEU 25 HD13 LEU 25 78.761 6.114 -6.959 235 1HD2 LEU 25 HD21 LEU 25 78.641 2.854 -8.505 236 2HD2 LEU 25 HD22 LEU 25 78.745 1.871 -7.054 237 3HD2 LEU 25 HD23 LEU 25 80.198 2.609 -7.716 238 H LEU 26 HN LEU 26 81.893 1.509 -4.482 239 HA LEU 26 HA LEU 26 83.195 2.926 -2.176 240 1HB LEU 26 HB2 LEU 26 82.323 0.830 -1.381 241 2HB LEU 26 HB1 LEU 26 82.958 -0.032 -2.778 242 HG LEU 26 HG LEU 26 85.220 0.265 -2.040 243 1HD1 LEU 26 HD11 LEU 26 85.594 1.508 0.196 244 2HD1 LEU 26 HD12 LEU 26 84.004 2.216 -0.087 245 3HD1 LEU 26 HD13 LEU 26 85.309 2.487 -1.240 246 1HD2 LEU 26 HD21 LEU 26 84.048 -1.544 -0.915 247 2HD2 LEU 26 HD22 LEU 26 83.402 -0.424 0.284 248 3HD2 LEU 26 HD23 LEU 26 85.131 -0.767 0.240 249 H GLY 27 HN GLY 27 84.880 3.969 -3.032 250 1HA GLY 27 HA2 GLY 27 86.390 2.958 -5.306 251 2HA GLY 27 HA1 GLY 27 86.672 4.473 -4.479 252 H ILE 28 HN ILE 28 88.236 1.822 -5.215 253 HA ILE 28 HA ILE 28 89.752 1.717 -2.627 254 HB ILE 28 HB ILE 28 90.397 -0.681 -3.748 255 1HG1 ILE 28 HG12 ILE 28 88.631 -0.029 -5.599 256 2HG1 ILE 28 HG11 ILE 28 88.691 -1.677 -4.988 257 1HG2 ILE 28 HG21 ILE 28 89.653 -0.547 -1.485 258 2HG2 ILE 28 HG22 ILE 28 88.556 -1.668 -2.288 259 3HG2 ILE 28 HG23 ILE 28 88.045 -0.011 -1.965 260 1HD1 ILE 28 HD11 ILE 28 86.888 0.297 -3.629 261 2HD1 ILE 28 HD12 ILE 28 86.723 -1.449 -3.780 262 3HD1 ILE 28 HD13 ILE 28 86.385 -0.411 -5.160 263 H THR 29 HN THR 29 91.587 2.847 -3.026 264 HA THR 29 HA THR 29 92.792 2.744 -5.758 265 HB THR 29 HB THR 29 93.667 4.604 -3.547 266 HG1 THR 29 HG1 THR 29 91.588 5.100 -3.548 267 1HG2 THR 29 HG21 THR 29 94.029 6.104 -5.537 268 2HG2 THR 29 HG22 THR 29 93.578 4.753 -6.575 269 3HG2 THR 29 HG23 THR 29 95.013 4.643 -5.556 270 H LYS 30 HN LYS 30 95.291 2.884 -5.670 271 HA LYS 30 HA LYS 30 96.249 0.554 -4.210 272 1HB LYS 30 HB2 LYS 30 98.499 1.443 -5.260 273 2HB LYS 30 HB1 LYS 30 97.257 0.773 -6.314 274 1HG LYS 30 HG2 LYS 30 96.507 2.897 -7.001 275 2HG LYS 30 HG1 LYS 30 97.313 3.717 -5.664 276 1HD LYS 30 HD2 LYS 30 99.475 3.343 -6.623 277 2HD LYS 30 HD1 LYS 30 98.824 2.217 -7.815 278 1HE LYS 30 HE2 LYS 30 97.801 3.927 -9.059 279 2HE LYS 30 HE1 LYS 30 97.836 5.064 -7.711 280 1HZ LYS 30 HZ1 LYS 30 99.664 5.846 -8.693 281 2HZ LYS 30 HZ2 LYS 30 99.860 4.469 -9.668 282 3HZ LYS 30 HZ3 LYS 30 100.447 4.475 -8.074 283 H GLU 31 HN GLU 31 95.991 3.883 -3.545 284 HA GLU 31 HA GLU 31 97.954 3.648 -1.287 285 1HB GLU 31 HB2 GLU 31 97.290 6.046 -3.006 286 2HB GLU 31 HB1 GLU 31 98.309 6.100 -1.571 287 1HG GLU 31 HG2 GLU 31 99.694 4.259 -2.714 288 2HG GLU 31 HG1 GLU 31 98.823 4.689 -4.177 289 H CYS 32 HN CYS 32 94.696 3.876 -1.981 290 HA CYS 32 HA CYS 32 94.050 4.498 0.749 291 1HB CYS 32 HB2 CYS 32 92.698 6.693 -0.187 292 2HB CYS 32 HB1 CYS 32 94.281 6.781 0.566 293 HG CYS 32 HG CYS 32 94.173 7.935 -1.896 294 H VAL 33 HN VAL 33 91.709 4.639 1.118 295 HA VAL 33 HA VAL 33 90.077 3.424 -1.091 296 HB VAL 33 HB VAL 33 89.859 2.911 1.900 297 1HG1 VAL 33 HG11 VAL 33 88.177 1.220 1.196 298 2HG1 VAL 33 HG12 VAL 33 88.326 1.794 -0.465 299 3HG1 VAL 33 HG13 VAL 33 87.682 2.862 0.783 300 1HG2 VAL 33 HG21 VAL 33 90.931 1.270 -0.402 301 2HG2 VAL 33 HG22 VAL 33 90.436 0.542 1.127 302 3HG2 VAL 33 HG23 VAL 33 91.757 1.710 1.093 303 H MET 34 HN MET 34 87.905 4.317 -1.232 304 HA MET 34 HA MET 34 87.352 6.590 0.630 305 1HB MET 34 HB2 MET 34 86.694 7.972 -1.399 306 2HB MET 34 HB1 MET 34 88.419 7.710 -1.188 307 1HG MET 34 HG2 MET 34 88.112 5.681 -2.769 308 2HG MET 34 HG1 MET 34 86.549 6.393 -3.154 309 1HE MET 34 HE1 MET 34 87.162 9.480 -5.088 310 2HE MET 34 HE2 MET 34 86.618 9.305 -3.421 311 3HE MET 34 HE3 MET 34 86.097 8.142 -4.637 312 H ARG 35 HN ARG 35 85.217 7.240 0.798 313 HA ARG 35 HA ARG 35 83.287 5.106 -0.005 314 1HB ARG 35 HB2 ARG 35 83.128 7.478 1.871 315 2HB ARG 35 HB1 ARG 35 81.699 6.566 1.410 316 1HG ARG 35 HG2 ARG 35 83.041 4.471 2.182 317 2HG ARG 35 HG1 ARG 35 84.096 5.629 2.992 318 1HD ARG 35 HD2 ARG 35 81.223 4.971 3.553 319 2HD ARG 35 HD1 ARG 35 82.553 5.204 4.684 320 HE ARG 35 HE ARG 35 82.179 7.699 3.476 321 1HH1 ARG 35 HH21 ARG 35 80.278 5.398 5.209 322 2HH1 ARG 35 HH22 ARG 35 79.230 6.591 5.902 323 1HH2 ARG 35 HH11 ARG 35 80.830 9.264 4.383 324 2HH2 ARG 35 HH12 ARG 35 79.542 8.779 5.433 325 H VAL 36 HN VAL 36 81.757 5.457 -1.555 326 HA VAL 36 HA VAL 36 81.427 8.221 -2.632 327 HB VAL 36 HB VAL 36 81.852 5.716 -4.282 328 1HG1 VAL 36 HG11 VAL 36 81.879 7.279 -6.186 329 2HG1 VAL 36 HG12 VAL 36 81.588 8.629 -5.090 330 3HG1 VAL 36 HG13 VAL 36 80.348 7.400 -5.321 331 1HG2 VAL 36 HG21 VAL 36 83.665 8.015 -3.554 332 2HG2 VAL 36 HG22 VAL 36 83.943 7.035 -4.992 333 3HG2 VAL 36 HG23 VAL 36 83.973 6.287 -3.396 334 H ASP 37 HN ASP 37 79.293 8.694 -2.652 335 HA ASP 37 HA ASP 37 77.305 6.674 -2.084 336 1HB ASP 37 HB2 ASP 37 77.211 9.196 -1.531 337 2HB ASP 37 HB1 ASP 37 76.726 9.421 -3.210 338 H GLU 38 HN GLU 38 75.734 5.839 -3.490 339 HA GLU 38 HA GLU 38 76.534 5.758 -6.341 340 1HB GLU 38 HB2 GLU 38 75.885 3.731 -4.897 341 2HB GLU 38 HB1 GLU 38 74.245 4.342 -4.997 342 1HG GLU 38 HG2 GLU 38 75.956 3.750 -7.416 343 2HG GLU 38 HG1 GLU 38 74.817 2.598 -6.712 344 H LYS 39 HN LYS 39 74.253 7.054 -4.185 345 HA LYS 39 HA LYS 39 72.148 7.736 -5.995 346 1HB LYS 39 HB2 LYS 39 71.932 7.627 -3.527 347 2HB LYS 39 HB1 LYS 39 72.987 9.026 -3.400 348 1HG LYS 39 HG2 LYS 39 71.379 10.366 -4.716 349 2HG LYS 39 HG1 LYS 39 70.311 8.966 -4.823 350 1HD LYS 39 HD2 LYS 39 70.344 8.921 -2.269 351 2HD LYS 39 HD1 LYS 39 71.103 10.512 -2.349 352 1HE LYS 39 HE2 LYS 39 68.450 9.802 -3.635 353 2HE LYS 39 HE1 LYS 39 68.625 10.654 -2.101 354 1HZ LYS 39 HZ1 LYS 39 70.093 12.244 -3.454 355 2HZ LYS 39 HZ2 LYS 39 68.407 12.353 -3.633 356 3HZ LYS 39 HZ3 LYS 39 69.341 11.563 -4.813 357 H THR 40 HN THR 40 74.783 9.650 -4.567 358 HA THR 40 HA THR 40 74.346 11.751 -6.645 359 HB THR 40 HB THR 40 75.851 13.119 -5.177 360 HG1 THR 40 HG1 THR 40 77.003 11.882 -3.920 361 1HG2 THR 40 HG21 THR 40 73.290 12.971 -4.976 362 2HG2 THR 40 HG22 THR 40 74.166 13.615 -3.588 363 3HG2 THR 40 HG23 THR 40 73.583 11.951 -3.567 364 H LYS 41 HN LYS 41 76.275 9.028 -6.216 365 HA LYS 41 HA LYS 41 78.363 8.416 -7.146 366 1HB LYS 41 HB2 LYS 41 77.617 10.609 -9.103 367 2HB LYS 41 HB1 LYS 41 78.786 9.321 -9.387 368 1HG LYS 41 HG2 LYS 41 77.130 7.656 -9.487 369 2HG LYS 41 HG1 LYS 41 75.946 8.640 -8.627 370 1HD LYS 41 HD2 LYS 41 75.342 8.555 -10.981 371 2HD LYS 41 HD1 LYS 41 75.871 10.188 -10.587 372 1HE LYS 41 HE2 LYS 41 78.006 9.844 -11.605 373 2HE LYS 41 HE1 LYS 41 77.747 8.103 -11.718 374 1HZ LYS 41 HZ1 LYS 41 75.711 8.802 -13.122 375 2HZ LYS 41 HZ2 LYS 41 77.254 8.807 -13.833 376 3HZ LYS 41 HZ3 LYS 41 76.549 10.264 -13.314 377 H GLU 42 HN GLU 42 78.200 10.683 -5.152 378 HA GLU 42 HA GLU 42 80.618 12.261 -5.933 379 1HB GLU 42 HB2 GLU 42 78.188 12.989 -4.707 380 2HB GLU 42 HB1 GLU 42 79.364 13.047 -3.403 381 1HG GLU 42 HG2 GLU 42 79.280 15.220 -4.475 382 2HG GLU 42 HG1 GLU 42 80.819 14.463 -4.868 383 H VAL 43 HN VAL 43 82.221 12.625 -4.155 384 HA VAL 43 HA VAL 43 82.853 10.068 -2.831 385 HB VAL 43 HB VAL 43 84.338 12.707 -2.967 386 1HG1 VAL 43 HG11 VAL 43 86.262 11.243 -2.148 387 2HG1 VAL 43 HG12 VAL 43 85.042 10.043 -1.719 388 3HG1 VAL 43 HG13 VAL 43 85.028 11.630 -0.948 389 1HG2 VAL 43 HG21 VAL 43 84.284 11.626 -5.119 390 2HG2 VAL 43 HG22 VAL 43 84.629 10.054 -4.399 391 3HG2 VAL 43 HG23 VAL 43 85.871 11.307 -4.419 392 H ILE 44 HN ILE 44 82.274 9.647 -0.764 393 HA ILE 44 HA ILE 44 81.344 11.904 0.937 394 HB ILE 44 HB ILE 44 81.025 8.952 1.469 395 1HG1 ILE 44 HG12 ILE 44 80.021 9.356 -0.697 396 2HG1 ILE 44 HG11 ILE 44 78.719 9.280 0.488 397 1HG2 ILE 44 HG21 ILE 44 79.339 11.310 2.339 398 2HG2 ILE 44 HG22 ILE 44 80.677 10.682 3.297 399 3HG2 ILE 44 HG23 ILE 44 79.282 9.659 2.957 400 1HD1 ILE 44 HD11 ILE 44 78.196 11.187 -0.808 401 2HD1 ILE 44 HD12 ILE 44 79.877 11.707 -0.880 402 3HD1 ILE 44 HD13 ILE 44 78.972 11.860 0.624 403 H GLN 45 HN GLN 45 83.853 9.445 0.741 404 HA GLN 45 HA GLN 45 85.192 10.749 3.022 405 1HB GLN 45 HB2 GLN 45 83.570 8.763 3.761 406 2HB GLN 45 HB1 GLN 45 84.938 7.769 3.271 407 1HG GLN 45 HG2 GLN 45 85.411 8.153 5.525 408 2HG GLN 45 HG1 GLN 45 86.339 9.429 4.747 409 1HE2 GLN 45 HE21 GLN 45 86.182 10.949 6.495 410 2HE2 GLN 45 HE22 GLN 45 84.712 11.661 6.950 411 H GLU 46 HN GLU 46 87.351 9.813 3.387 412 HA GLU 46 HA GLU 46 88.587 8.404 1.092 413 1HB GLU 46 HB2 GLU 46 89.186 11.181 2.062 414 2HB GLU 46 HB1 GLU 46 90.541 10.184 1.531 415 1HG GLU 46 HG2 GLU 46 89.383 9.785 -0.624 416 2HG GLU 46 HG1 GLU 46 88.067 10.837 -0.099 417 H TRP 47 HN TRP 47 90.285 7.037 1.781 418 HA TRP 47 HA TRP 47 91.145 7.247 4.632 419 1HB TRP 47 HB2 TRP 47 90.094 4.752 3.290 420 2HB TRP 47 HB1 TRP 47 90.859 4.789 4.871 421 HD1 TRP 47 HD1 TRP 47 87.694 5.877 3.034 422 HE1 TRP 47 HE1 TRP 47 85.876 6.442 4.773 423 HE3 TRP 47 HE3 TRP 47 90.440 5.559 7.331 424 HZ2 TRP 47 HZ2 TRP 47 85.616 6.720 7.593 425 HZ3 TRP 47 HZ3 TRP 47 89.379 5.980 9.531 426 HH2 TRP 47 HH2 TRP 47 86.972 6.561 9.669 427 H SER 48 HN SER 48 93.170 6.214 5.058 428 HA SER 48 HA SER 48 94.911 6.051 2.680 429 1HB SER 48 HB2 SER 48 95.403 6.030 5.649 430 2HB SER 48 HB1 SER 48 96.681 5.631 4.509 431 HG SER 48 HG SER 48 96.215 7.675 3.498 432 H LEU 49 HN LEU 49 95.826 4.119 1.946 433 HA LEU 49 HA LEU 49 94.443 1.694 2.564 434 1HB LEU 49 HB2 LEU 49 96.019 2.533 0.500 435 2HB LEU 49 HB1 LEU 49 97.158 1.485 1.331 436 HG LEU 49 HG LEU 49 94.365 0.688 0.468 437 1HD1 LEU 49 HD11 LEU 49 97.098 0.184 -0.729 438 2HD1 LEU 49 HD12 LEU 49 95.710 0.953 -1.499 439 3HD1 LEU 49 HD13 LEU 49 95.679 -0.775 -1.147 440 1HD2 LEU 49 HD21 LEU 49 96.631 -0.736 1.867 441 2HD2 LEU 49 HD22 LEU 49 95.426 -1.637 0.945 442 3HD2 LEU 49 HD23 LEU 49 94.930 -0.662 2.327 443 H THR 50 HN THR 50 97.308 3.183 3.895 444 HA THR 50 HA THR 50 98.261 0.753 5.188 445 HB THR 50 HB THR 50 99.721 2.416 6.457 446 HG1 THR 50 HG1 THR 50 99.426 4.473 6.106 447 1HG2 THR 50 HG21 THR 50 99.755 2.551 3.430 448 2HG2 THR 50 HG22 THR 50 100.444 1.247 4.393 449 3HG2 THR 50 HG23 THR 50 101.121 2.871 4.498 450 H ASN 51 HN ASN 51 95.642 2.734 5.762 451 HA ASN 51 HA ASN 51 95.795 2.623 8.715 452 1HB ASN 51 HB2 ASN 51 93.800 3.766 6.752 453 2HB ASN 51 HB1 ASN 51 93.433 3.643 8.473 454 1HD2 ASN 51 HD21 ASN 51 96.756 4.192 7.461 455 2HD2 ASN 51 HD22 ASN 51 96.838 5.813 7.959 456 H ILE 52 HN ILE 52 94.209 0.939 6.062 457 HA ILE 52 HA ILE 52 92.157 -0.392 7.467 458 HB ILE 52 HB ILE 52 93.900 -1.671 5.343 459 1HG1 ILE 52 HG12 ILE 52 91.597 0.288 5.067 460 2HG1 ILE 52 HG11 ILE 52 93.264 0.544 4.552 461 1HG2 ILE 52 HG21 ILE 52 91.933 -2.951 4.827 462 2HG2 ILE 52 HG22 ILE 52 90.933 -1.952 5.881 463 3HG2 ILE 52 HG23 ILE 52 92.141 -3.033 6.576 464 1HD1 ILE 52 HD11 ILE 52 92.188 -0.082 2.556 465 2HD1 ILE 52 HD12 ILE 52 91.187 -1.289 3.364 466 3HD1 ILE 52 HD13 ILE 52 92.905 -1.597 3.105 467 H LYS 53 HN LYS 53 92.358 -1.577 9.307 468 HA LYS 53 HA LYS 53 94.948 -2.817 9.990 469 1HB LYS 53 HB2 LYS 53 93.683 -1.637 11.739 470 2HB LYS 53 HB1 LYS 53 92.317 -2.727 11.501 471 1HG LYS 53 HG2 LYS 53 93.487 -4.583 12.369 472 2HG LYS 53 HG1 LYS 53 95.057 -3.806 12.167 473 1HD LYS 53 HD2 LYS 53 94.480 -2.173 13.925 474 2HD LYS 53 HD1 LYS 53 92.907 -2.945 14.127 475 1HE LYS 53 HE2 LYS 53 93.871 -4.941 14.977 476 2HE LYS 53 HE1 LYS 53 95.482 -4.500 14.411 477 1HZ LYS 53 HZ1 LYS 53 94.102 -3.721 16.819 478 2HZ LYS 53 HZ2 LYS 53 94.844 -2.428 16.004 479 3HZ LYS 53 HZ3 LYS 53 95.765 -3.772 16.488 480 H ARG 54 HN ARG 54 91.563 -3.905 9.533 481 HA ARG 54 HA ARG 54 92.566 -6.464 8.448 482 1HB ARG 54 HB2 ARG 54 91.075 -7.766 10.022 483 2HB ARG 54 HB1 ARG 54 92.483 -7.039 10.795 484 1HG ARG 54 HG2 ARG 54 91.217 -5.403 11.884 485 2HG ARG 54 HG1 ARG 54 89.917 -5.477 10.703 486 1HD ARG 54 HD2 ARG 54 88.999 -7.427 11.629 487 2HD ARG 54 HD1 ARG 54 90.494 -7.849 12.466 488 HE ARG 54 HE ARG 54 89.705 -5.393 13.560 489 1HH1 ARG 54 HH21 ARG 54 88.358 -8.534 13.107 490 2HH1 ARG 54 HH22 ARG 54 87.358 -8.456 14.518 491 1HH2 ARG 54 HH11 ARG 54 88.404 -5.271 15.406 492 2HH2 ARG 54 HH12 ARG 54 87.382 -6.606 15.820 493 H TRP 55 HN TRP 55 90.508 -7.868 7.904 494 HA TRP 55 HA TRP 55 88.072 -6.321 7.425 495 1HB TRP 55 HB2 TRP 55 88.097 -6.626 4.966 496 2HB TRP 55 HB1 TRP 55 89.416 -5.590 5.506 497 HD1 TRP 55 HD1 TRP 55 88.797 -9.301 4.610 498 HE1 TRP 55 HE1 TRP 55 90.977 -10.258 3.612 499 HE3 TRP 55 HE3 TRP 55 91.859 -5.260 5.154 500 HZ2 TRP 55 HZ2 TRP 55 93.660 -9.407 3.096 501 HZ3 TRP 55 HZ3 TRP 55 94.212 -5.354 4.400 502 HH2 TRP 55 HH2 TRP 55 95.118 -7.425 3.373 503 H ALA 56 HN ALA 56 86.483 -7.718 6.147 504 HA ALA 56 HA ALA 56 87.008 -10.625 6.369 505 1HB ALA 56 HB1 ALA 56 84.897 -9.136 7.949 506 2HB ALA 56 HB2 ALA 56 86.105 -10.273 8.548 507 3HB ALA 56 HB3 ALA 56 84.748 -10.854 7.580 508 H ALA 57 HN ALA 57 86.516 -11.167 4.282 509 HA ALA 57 HA ALA 57 84.257 -9.786 2.917 510 1HB ALA 57 HB1 ALA 57 86.218 -11.756 1.730 511 2HB ALA 57 HB2 ALA 57 86.538 -10.026 1.834 512 3HB ALA 57 HB3 ALA 57 85.183 -10.614 0.872 513 H SER 58 HN SER 58 82.340 -10.752 3.289 514 HA SER 58 HA SER 58 82.209 -13.700 3.512 515 1HB SER 58 HB2 SER 58 80.602 -11.426 4.482 516 2HB SER 58 HB1 SER 58 79.630 -12.765 3.887 517 HG SER 58 HG SER 58 81.724 -12.892 5.805 518 HA PRO 59 HA PRO 59 80.659 -14.270 -0.571 519 1HB PRO 59 HB2 PRO 59 78.333 -15.829 0.017 520 2HB PRO 59 HB1 PRO 59 79.949 -16.439 -0.363 521 1HG PRO 59 HG2 PRO 59 78.595 -16.276 2.264 522 2HG PRO 59 HG1 PRO 59 79.996 -17.251 1.790 523 1HD PRO 59 HD2 PRO 59 80.092 -14.963 3.414 524 2HD PRO 59 HD1 PRO 59 81.479 -15.674 2.568 525 H LYS 60 HN LYS 60 79.100 -12.360 1.656 526 HA LYS 60 HA LYS 60 77.207 -11.351 -0.411 527 1HB LYS 60 HB2 LYS 60 75.377 -11.301 1.218 528 2HB LYS 60 HB1 LYS 60 75.955 -12.946 0.987 529 1HG LYS 60 HG2 LYS 60 77.500 -12.488 3.004 530 2HG LYS 60 HG1 LYS 60 76.456 -11.106 3.312 531 1HD LYS 60 HD2 LYS 60 74.500 -12.754 3.190 532 2HD LYS 60 HD1 LYS 60 75.719 -14.028 3.274 533 1HE LYS 60 HE2 LYS 60 75.403 -11.803 5.311 534 2HE LYS 60 HE1 LYS 60 74.808 -13.450 5.520 535 1HZ LYS 60 HZ1 LYS 60 77.185 -14.151 5.068 536 2HZ LYS 60 HZ2 LYS 60 76.880 -13.410 6.566 537 3HZ LYS 60 HZ3 LYS 60 77.610 -12.527 5.312 538 H SER 61 HN SER 61 79.326 -10.744 2.225 539 HA SER 61 HA SER 61 78.742 -7.828 1.978 540 1HB SER 61 HB2 SER 61 77.443 -8.276 3.883 541 2HB SER 61 HB1 SER 61 78.588 -9.463 4.498 542 HG SER 61 HG SER 61 79.640 -6.954 4.117 543 H PHE 62 HN PHE 62 80.412 -6.467 2.882 544 HA PHE 62 HA PHE 62 83.091 -7.782 3.188 545 1HB PHE 62 HB2 PHE 62 82.915 -6.788 0.929 546 2HB PHE 62 HB1 PHE 62 82.452 -5.246 1.644 547 HD1 PHE 62 HD1 PHE 62 85.149 -7.835 2.032 548 HD2 PHE 62 HD2 PHE 62 84.151 -3.659 1.926 549 HE1 PHE 62 HE1 PHE 62 87.541 -7.257 2.319 550 HE2 PHE 62 HE2 PHE 62 86.546 -3.083 2.209 551 HZ PHE 62 HZ PHE 62 88.240 -4.881 2.407 552 H THR 63 HN THR 63 84.360 -6.872 4.844 553 HA THR 63 HA THR 63 83.327 -4.394 6.174 554 HB THR 63 HB THR 63 83.914 -7.062 7.477 555 HG1 THR 63 HG1 THR 63 81.805 -6.786 6.822 556 1HG2 THR 63 HG21 THR 63 83.380 -5.707 9.621 557 2HG2 THR 63 HG22 THR 63 83.803 -4.288 8.662 558 3HG2 THR 63 HG23 THR 63 84.999 -5.557 8.938 559 H LEU 64 HN LEU 64 84.910 -3.109 7.079 560 HA LEU 64 HA LEU 64 87.726 -4.094 7.013 561 1HB LEU 64 HB2 LEU 64 88.458 -1.931 6.036 562 2HB LEU 64 HB1 LEU 64 87.484 -2.893 4.935 563 HG LEU 64 HG LEU 64 85.499 -1.437 6.103 564 1HD1 LEU 64 HD11 LEU 64 87.980 0.314 6.174 565 2HD1 LEU 64 HD12 LEU 64 86.907 -0.070 7.519 566 3HD1 LEU 64 HD13 LEU 64 86.338 0.949 6.201 567 1HD2 LEU 64 HD21 LEU 64 85.811 0.185 4.130 568 2HD2 LEU 64 HD22 LEU 64 85.682 -1.527 3.731 569 3HD2 LEU 64 HD23 LEU 64 87.261 -0.743 3.744 570 H ASP 65 HN ASP 65 89.132 -2.915 8.427 571 HA ASP 65 HA ASP 65 87.728 -1.214 10.467 572 1HB ASP 65 HB2 ASP 65 89.896 -3.211 11.143 573 2HB ASP 65 HB1 ASP 65 88.829 -2.354 12.249 574 H PHE 66 HN PHE 66 88.713 0.707 10.678 575 HA PHE 66 HA PHE 66 91.361 1.136 9.457 576 1HB PHE 66 HB2 PHE 66 89.441 3.009 10.876 577 2HB PHE 66 HB1 PHE 66 90.936 3.514 10.089 578 HD1 PHE 66 HD1 PHE 66 91.223 2.573 7.594 579 HD2 PHE 66 HD2 PHE 66 87.468 3.118 9.612 580 HE1 PHE 66 HE1 PHE 66 90.058 2.650 5.406 581 HE2 PHE 66 HE2 PHE 66 86.304 3.195 7.425 582 HZ PHE 66 HZ PHE 66 87.598 2.962 5.321 583 H GLY 67 HN GLY 67 90.348 -0.091 12.300 584 1HA GLY 67 HA2 GLY 67 91.724 -0.610 14.181 585 2HA GLY 67 HA1 GLY 67 92.869 0.630 13.661 586 H ASP 68 HN ASP 68 90.159 2.273 13.320 587 HA ASP 68 HA ASP 68 90.394 3.516 15.985 588 1HB ASP 68 HB2 ASP 68 88.460 4.400 13.860 589 2HB ASP 68 HB1 ASP 68 89.301 5.367 15.065 590 H TYR 69 HN TYR 69 89.445 1.536 17.046 591 HA TYR 69 HA TYR 69 86.905 0.480 16.667 592 1HB TYR 69 HB2 TYR 69 88.375 -0.371 18.406 593 2HB TYR 69 HB1 TYR 69 88.281 1.158 19.280 594 HD1 TYR 69 HD1 TYR 69 86.478 1.623 20.757 595 HD2 TYR 69 HD2 TYR 69 86.267 -1.736 18.092 596 HE1 TYR 69 HE1 TYR 69 84.434 0.828 21.922 597 HE2 TYR 69 HE2 TYR 69 84.225 -2.533 19.254 598 HH TYR 69 HH TYR 69 82.327 -0.797 21.030 599 H GLN 70 HN GLN 70 87.780 3.498 18.274 600 HA GLN 70 HA GLN 70 85.260 4.243 19.290 601 1HB GLN 70 HB2 GLN 70 86.224 6.669 18.620 602 2HB GLN 70 HB1 GLN 70 86.891 5.748 19.957 603 1HG GLN 70 HG2 GLN 70 88.009 5.306 17.210 604 2HG GLN 70 HG1 GLN 70 88.493 6.739 18.105 605 1HE2 GLN 70 HE21 GLN 70 88.788 5.890 20.692 606 2HE2 GLN 70 HE22 GLN 70 89.915 4.625 20.799 607 H ASP 71 HN ASP 71 86.648 5.104 16.094 608 HA ASP 71 HA ASP 71 84.308 6.358 15.101 609 1HB ASP 71 HB2 ASP 71 86.703 6.310 14.129 610 2HB ASP 71 HB1 ASP 71 86.212 4.805 13.367 611 H GLY 72 HN GLY 72 85.301 3.000 15.232 612 1HA GLY 72 HA2 GLY 72 83.709 1.181 15.311 613 2HA GLY 72 HA1 GLY 72 82.542 2.193 14.465 614 H TYR 73 HN TYR 73 83.030 -0.381 13.561 615 HA TYR 73 HA TYR 73 85.011 -0.325 11.405 616 1HB TYR 73 HB2 TYR 73 82.802 -2.343 11.858 617 2HB TYR 73 HB1 TYR 73 84.286 -2.574 10.940 618 HD1 TYR 73 HD1 TYR 73 86.505 -2.041 12.290 619 HD2 TYR 73 HD2 TYR 73 82.757 -3.122 14.069 620 HE1 TYR 73 HE1 TYR 73 87.696 -2.788 14.333 621 HE2 TYR 73 HE2 TYR 73 83.941 -3.869 16.117 622 HH TYR 73 HH TYR 73 86.041 -3.516 17.256 623 H TYR 74 HN TYR 74 84.102 -1.134 9.174 624 HA TYR 74 HA TYR 74 81.605 0.335 8.460 625 1HB TYR 74 HB2 TYR 74 83.544 1.708 7.795 626 2HB TYR 74 HB1 TYR 74 84.214 0.329 6.932 627 HD1 TYR 74 HD1 TYR 74 81.233 2.568 7.078 628 HD2 TYR 74 HD2 TYR 74 83.566 -0.150 4.707 629 HE1 TYR 74 HE1 TYR 74 79.889 3.155 5.079 630 HE2 TYR 74 HE2 TYR 74 82.224 0.439 2.708 631 HH TYR 74 HH TYR 74 80.494 1.586 1.933 632 H SER 75 HN SER 75 80.297 -1.329 7.932 633 HA SER 75 HA SER 75 81.317 -3.454 6.098 634 1HB SER 75 HB2 SER 75 79.139 -3.761 8.168 635 2HB SER 75 HB1 SER 75 79.871 -5.031 7.196 636 HG SER 75 HG SER 75 81.516 -5.073 8.514 637 H VAL 76 HN VAL 76 79.963 -4.125 4.448 638 HA VAL 76 HA VAL 76 77.292 -2.890 4.147 639 HB VAL 76 HB VAL 76 77.841 -2.012 1.885 640 1HG1 VAL 76 HG11 VAL 76 78.016 -0.635 4.045 641 2HG1 VAL 76 HG12 VAL 76 78.882 -0.006 2.644 642 3HG1 VAL 76 HG13 VAL 76 79.761 -0.851 3.918 643 1HG2 VAL 76 HG21 VAL 76 80.624 -2.892 2.702 644 2HG2 VAL 76 HG22 VAL 76 80.333 -1.729 1.411 645 3HG2 VAL 76 HG23 VAL 76 79.718 -3.375 1.270 646 H GLN 77 HN GLN 77 76.293 -3.774 2.009 647 HA GLN 77 HA GLN 77 76.708 -6.655 2.010 648 1HB GLN 77 HB2 GLN 77 74.821 -4.740 0.661 649 2HB GLN 77 HB1 GLN 77 74.929 -6.395 0.070 650 1HG GLN 77 HG2 GLN 77 74.532 -5.810 3.006 651 2HG GLN 77 HG1 GLN 77 73.171 -5.876 1.892 652 1HE2 GLN 77 HE21 GLN 77 72.392 -7.944 1.313 653 2HE2 GLN 77 HE22 GLN 77 73.152 -9.398 1.746 654 H THR 78 HN THR 78 77.644 -7.881 0.411 655 HA THR 78 HA THR 78 78.499 -6.647 -2.121 656 HB THR 78 HB THR 78 80.851 -7.346 -1.810 657 HG1 THR 78 HG1 THR 78 80.752 -8.890 -0.279 658 1HG2 THR 78 HG21 THR 78 79.969 -5.028 -1.191 659 2HG2 THR 78 HG22 THR 78 81.506 -5.490 -0.471 660 3HG2 THR 78 HG23 THR 78 80.028 -5.564 0.487 661 H THR 79 HN THR 79 77.642 -8.143 -3.458 662 HA THR 79 HA THR 79 77.231 -10.902 -2.790 663 HB THR 79 HB THR 79 77.480 -9.630 -5.529 664 HG1 THR 79 HG1 THR 79 75.336 -9.909 -3.710 665 1HG2 THR 79 HG21 THR 79 75.864 -11.546 -6.081 666 2HG2 THR 79 HG22 THR 79 76.341 -12.243 -4.533 667 3HG2 THR 79 HG23 THR 79 77.547 -11.989 -5.794 668 H GLU 80 HN GLU 80 79.978 -9.131 -3.777 669 HA GLU 80 HA GLU 80 81.561 -11.628 -3.936 670 1HB GLU 80 HB2 GLU 80 82.746 -10.787 -5.964 671 2HB GLU 80 HB1 GLU 80 81.046 -11.140 -6.269 672 1HG GLU 80 HG2 GLU 80 80.672 -8.611 -5.698 673 2HG GLU 80 HG1 GLU 80 82.397 -8.456 -6.001 674 H GLY 81 HN GLY 81 81.475 -9.903 -1.800 675 1HA GLY 81 HA2 GLY 81 83.329 -7.760 -1.785 676 2HA GLY 81 HA1 GLY 81 82.918 -8.730 -0.371 677 H GLU 82 HN GLU 82 83.895 -10.994 -2.436 678 HA GLU 82 HA GLU 82 86.437 -11.400 -1.159 679 1HB GLU 82 HB2 GLU 82 85.350 -13.351 -1.973 680 2HB GLU 82 HB1 GLU 82 85.059 -12.627 -3.548 681 1HG GLU 82 HG2 GLU 82 87.306 -12.838 -4.198 682 2HG GLU 82 HG1 GLU 82 87.854 -13.091 -2.549 683 H GLN 83 HN GLN 83 85.649 -10.595 -4.533 684 HA GLN 83 HA GLN 83 88.249 -10.062 -5.439 685 1HB GLN 83 HB2 GLN 83 85.795 -8.485 -6.213 686 2HB GLN 83 HB1 GLN 83 87.243 -8.711 -7.178 687 1HG GLN 83 HG2 GLN 83 86.775 -11.034 -7.471 688 2HG GLN 83 HG1 GLN 83 85.502 -10.994 -6.267 689 1HE2 GLN 83 HE21 GLN 83 83.651 -9.477 -6.799 690 2HE2 GLN 83 HE22 GLN 83 83.163 -9.356 -8.416 691 H ILE 84 HN ILE 84 85.962 -7.903 -3.842 692 HA ILE 84 HA ILE 84 87.511 -5.535 -3.901 693 HB ILE 84 HB ILE 84 85.813 -6.475 -1.570 694 1HG1 ILE 84 HG12 ILE 84 85.033 -5.153 -4.187 695 2HG1 ILE 84 HG11 ILE 84 84.509 -6.732 -3.602 696 1HG2 ILE 84 HG21 ILE 84 87.275 -4.382 -1.367 697 2HG2 ILE 84 HG22 ILE 84 85.553 -4.148 -1.079 698 3HG2 ILE 84 HG23 ILE 84 86.261 -3.672 -2.622 699 1HD1 ILE 84 HD11 ILE 84 83.756 -4.001 -2.565 700 2HD1 ILE 84 HD12 ILE 84 83.571 -5.440 -1.561 701 3HD1 ILE 84 HD13 ILE 84 82.694 -5.310 -3.086 702 H ALA 85 HN ALA 85 87.727 -8.412 -1.896 703 HA ALA 85 HA ALA 85 89.813 -7.245 -0.173 704 1HB ALA 85 HB1 ALA 85 88.737 -10.072 -0.412 705 2HB ALA 85 HB2 ALA 85 88.280 -8.877 0.800 706 3HB ALA 85 HB3 ALA 85 89.912 -9.542 0.792 707 H GLN 86 HN GLN 86 89.552 -9.283 -3.021 708 HA GLN 86 HA GLN 86 92.336 -10.126 -2.961 709 1HB GLN 86 HB2 GLN 86 90.336 -11.262 -4.151 710 2HB GLN 86 HB1 GLN 86 90.590 -10.066 -5.410 711 1HG GLN 86 HG2 GLN 86 93.050 -10.821 -5.375 712 2HG GLN 86 HG1 GLN 86 92.474 -12.212 -4.468 713 1HE2 GLN 86 HE21 GLN 86 93.275 -13.401 -6.497 714 2HE2 GLN 86 HE22 GLN 86 92.196 -13.535 -7.796 715 H LEU 87 HN LEU 87 90.462 -7.575 -4.474 716 HA LEU 87 HA LEU 87 92.598 -6.573 -6.124 717 1HB LEU 87 HB2 LEU 87 90.304 -5.988 -6.668 718 2HB LEU 87 HB1 LEU 87 90.059 -5.295 -5.068 719 HG LEU 87 HG LEU 87 91.617 -3.505 -5.531 720 1HD1 LEU 87 HD11 LEU 87 92.220 -5.163 -7.987 721 2HD1 LEU 87 HD12 LEU 87 93.346 -4.465 -6.825 722 3HD1 LEU 87 HD13 LEU 87 92.529 -3.427 -7.991 723 1HD2 LEU 87 HD21 LEU 87 89.926 -3.846 -8.019 724 2HD2 LEU 87 HD22 LEU 87 90.380 -2.341 -7.220 725 3HD2 LEU 87 HD23 LEU 87 89.232 -3.437 -6.451 726 H ILE 88 HN ILE 88 91.383 -5.880 -2.902 727 HA ILE 88 HA ILE 88 93.321 -3.745 -2.436 728 HB ILE 88 HB ILE 88 91.185 -5.137 -0.843 729 1HG1 ILE 88 HG12 ILE 88 90.839 -3.109 -2.381 730 2HG1 ILE 88 HG11 ILE 88 90.196 -2.977 -0.750 731 1HG2 ILE 88 HG21 ILE 88 93.448 -3.492 0.298 732 2HG2 ILE 88 HG22 ILE 88 92.831 -5.046 0.859 733 3HG2 ILE 88 HG23 ILE 88 91.879 -3.580 1.099 734 1HD1 ILE 88 HD11 ILE 88 91.570 -1.246 -0.237 735 2HD1 ILE 88 HD12 ILE 88 91.848 -1.121 -1.970 736 3HD1 ILE 88 HD13 ILE 88 92.982 -2.008 -0.966 737 H ALA 89 HN ALA 89 92.902 -7.120 -1.352 738 HA ALA 89 HA ALA 89 95.209 -7.256 0.303 739 1HB ALA 89 HB1 ALA 89 95.169 -9.701 -0.175 740 2HB ALA 89 HB2 ALA 89 93.971 -9.412 -1.435 741 3HB ALA 89 HB3 ALA 89 93.576 -9.078 0.251 742 H GLY 90 HN GLY 90 94.877 -6.905 -3.084 743 1HA GLY 90 HA2 GLY 90 97.553 -7.978 -3.711 744 2HA GLY 90 HA1 GLY 90 96.413 -7.293 -4.865 745 H TYR 91 HN TYR 91 96.015 -4.817 -3.228 746 HA TYR 91 HA TYR 91 98.315 -3.368 -4.298 747 1HB TYR 91 HB2 TYR 91 95.874 -2.537 -2.717 748 2HB TYR 91 HB1 TYR 91 97.162 -1.395 -3.073 749 HD1 TYR 91 HD1 TYR 91 94.038 -2.298 -4.126 750 HD2 TYR 91 HD2 TYR 91 97.974 -1.717 -5.766 751 HE1 TYR 91 HE1 TYR 91 93.053 -1.862 -6.351 752 HE2 TYR 91 HE2 TYR 91 96.979 -1.305 -7.991 753 HH TYR 91 HH TYR 91 94.221 -0.384 -8.630 754 H ILE 92 HN ILE 92 97.322 -4.633 -1.218 755 HA ILE 92 HA ILE 92 99.077 -3.045 0.413 756 HB ILE 92 HB ILE 92 97.835 -5.766 0.868 757 1HG1 ILE 92 HG12 ILE 92 97.073 -3.013 1.880 758 2HG1 ILE 92 HG11 ILE 92 96.309 -3.802 0.499 759 1HG2 ILE 92 HG21 ILE 92 98.274 -5.163 3.304 760 2HG2 ILE 92 HG22 ILE 92 99.331 -3.883 2.711 761 3HG2 ILE 92 HG23 ILE 92 99.708 -5.570 2.364 762 1HD1 ILE 92 HD11 ILE 92 95.580 -5.647 1.932 763 2HD1 ILE 92 HD12 ILE 92 95.011 -4.117 2.593 764 3HD1 ILE 92 HD13 ILE 92 96.401 -4.927 3.315 765 H ASP 93 HN ASP 93 99.546 -5.892 -1.537 766 HA ASP 93 HA ASP 93 102.113 -6.572 -0.275 767 1HB ASP 93 HB2 ASP 93 100.573 -7.641 -2.646 768 2HB ASP 93 HB1 ASP 93 102.203 -8.192 -2.266 769 H ILE 94 HN ILE 94 100.965 -4.590 -2.873 770 HA ILE 94 HA ILE 94 103.572 -4.498 -4.238 771 HB ILE 94 HB ILE 94 101.036 -2.911 -4.699 772 1HG1 ILE 94 HG12 ILE 94 102.157 -5.256 -6.257 773 2HG1 ILE 94 HG11 ILE 94 100.934 -5.432 -5.000 774 1HG2 ILE 94 HG21 ILE 94 102.187 -2.654 -7.007 775 2HG2 ILE 94 HG22 ILE 94 103.667 -3.126 -6.170 776 3HG2 ILE 94 HG23 ILE 94 102.801 -1.670 -5.679 777 1HD1 ILE 94 HD11 ILE 94 100.698 -3.859 -7.576 778 2HD1 ILE 94 HD12 ILE 94 99.519 -3.767 -6.268 779 3HD1 ILE 94 HD13 ILE 94 99.781 -5.292 -7.113 780 H ILE 95 HN ILE 95 101.784 -2.586 -1.906 781 HA ILE 95 HA ILE 95 103.561 -0.259 -2.221 782 HB ILE 95 HB ILE 95 102.335 0.610 -0.236 783 1HG1 ILE 95 HG12 ILE 95 101.026 -2.121 -0.389 784 2HG1 ILE 95 HG11 ILE 95 101.891 -1.423 0.977 785 1HG2 ILE 95 HG21 ILE 95 101.516 0.799 -2.640 786 2HG2 ILE 95 HG22 ILE 95 100.276 0.981 -1.398 787 3HG2 ILE 95 HG23 ILE 95 100.425 -0.538 -2.280 788 1HD1 ILE 95 HD11 ILE 95 100.089 0.462 0.861 789 2HD1 ILE 95 HD12 ILE 95 99.642 -1.090 1.568 790 3HD1 ILE 95 HD13 ILE 95 99.168 -0.706 -0.087 791 H LEU 96 HN LEU 96 103.122 -2.960 -0.012 792 HA LEU 96 HA LEU 96 105.144 -2.083 1.866 793 1HB LEU 96 HB2 LEU 96 103.481 -4.512 1.392 794 2HB LEU 96 HB1 LEU 96 104.960 -4.762 2.321 795 HG LEU 96 HG LEU 96 103.089 -2.497 3.038 796 1HD1 LEU 96 HD11 LEU 96 101.600 -4.370 3.048 797 2HD1 LEU 96 HD12 LEU 96 102.087 -4.116 4.724 798 3HD1 LEU 96 HD13 LEU 96 102.817 -5.415 3.780 799 1HD2 LEU 96 HD21 LEU 96 105.045 -4.227 4.593 800 2HD2 LEU 96 HD22 LEU 96 104.036 -2.971 5.308 801 3HD2 LEU 96 HD23 LEU 96 105.277 -2.540 4.135 802 H LYS 97 HN LYS 97 105.178 -3.755 -1.162 803 HA LYS 97 HA LYS 97 107.753 -5.039 -0.849 804 1HB LYS 97 HB2 LYS 97 106.012 -5.661 -2.565 805 2HB LYS 97 HB1 LYS 97 106.405 -4.167 -3.408 806 1HG LYS 97 HG2 LYS 97 108.876 -5.063 -3.305 807 2HG LYS 97 HG1 LYS 97 108.104 -6.620 -3.023 808 1HD LYS 97 HD2 LYS 97 106.811 -6.382 -5.091 809 2HD LYS 97 HD1 LYS 97 107.533 -4.798 -5.365 810 1HE LYS 97 HE2 LYS 97 108.938 -7.478 -5.348 811 2HE LYS 97 HE1 LYS 97 108.769 -6.367 -6.706 812 1HZ LYS 97 HZ1 LYS 97 110.628 -6.311 -4.499 813 2HZ LYS 97 HZ2 LYS 97 109.917 -4.808 -4.848 814 3HZ LYS 97 HZ3 LYS 97 110.769 -5.649 -6.054 815 H LYS 98 HN LYS 98 106.775 -2.209 -2.808 816 HA LYS 98 HA LYS 98 109.364 -1.291 -3.420 817 1HB LYS 98 HB2 LYS 98 106.886 0.376 -2.887 818 2HB LYS 98 HB1 LYS 98 108.304 0.895 -3.795 819 1HG LYS 98 HG2 LYS 98 107.872 -0.624 -5.564 820 2HG LYS 98 HG1 LYS 98 106.747 -1.568 -4.591 821 1HD LYS 98 HD2 LYS 98 105.596 -0.101 -6.256 822 2HD LYS 98 HD1 LYS 98 105.139 0.255 -4.590 823 1HE LYS 98 HE2 LYS 98 105.715 2.261 -6.118 824 2HE LYS 98 HE1 LYS 98 106.466 2.213 -4.522 825 1HZ LYS 98 HZ1 LYS 98 107.860 2.585 -6.715 826 2HZ LYS 98 HZ2 LYS 98 107.870 0.886 -6.710 827 3HZ LYS 98 HZ3 LYS 98 108.492 1.747 -5.383 828 H LYS 99 HN LYS 99 107.411 -0.850 -0.521 829 HA LYS 99 HA LYS 99 109.126 1.122 0.693 830 1HB LYS 99 HB2 LYS 99 107.097 -0.788 1.849 831 2HB LYS 99 HB1 LYS 99 107.929 0.427 2.808 832 1HG LYS 99 HG2 LYS 99 106.531 1.286 0.284 833 2HG LYS 99 HG1 LYS 99 105.562 0.957 1.712 834 1HD LYS 99 HD2 LYS 99 107.943 2.837 1.719 835 2HD LYS 99 HD1 LYS 99 106.289 3.373 1.451 836 1HE LYS 99 HE2 LYS 99 105.877 2.004 3.733 837 2HE LYS 99 HE1 LYS 99 107.578 2.403 3.971 838 1HZ LYS 99 HZ1 LYS 99 105.274 4.208 3.679 839 2HZ LYS 99 HZ2 LYS 99 106.830 4.748 3.263 840 3HZ LYS 99 HZ3 LYS 99 106.506 4.221 4.845 841 H LYS 100 HN LYS 100 109.077 -2.383 0.591 842 HA LYS 100 HA LYS 100 110.597 -3.968 1.397 843 1HB LYS 100 HB2 LYS 100 112.079 -2.216 0.089 844 2HB LYS 100 HB1 LYS 100 112.651 -1.778 1.697 845 1HG LYS 100 HG2 LYS 100 112.752 -4.538 0.436 846 2HG LYS 100 HG1 LYS 100 114.126 -3.479 0.751 847 1HD LYS 100 HD2 LYS 100 113.383 -3.547 3.221 848 2HD LYS 100 HD1 LYS 100 112.376 -4.917 2.750 849 1HE LYS 100 HE2 LYS 100 114.459 -5.827 3.526 850 2HE LYS 100 HE1 LYS 100 114.458 -5.979 1.770 851 1HZ LYS 100 HZ1 LYS 100 116.522 -5.081 2.228 852 2HZ LYS 100 HZ2 LYS 100 115.936 -4.069 3.461 853 3HZ LYS 100 HZ3 LYS 100 115.611 -3.706 1.833 854 1H SER 1 HT1 SER 1 86.295 -15.597 11.601 855 2H SER 1 HT2 SER 1 86.891 -16.830 12.607 856 3H SER 1 HT3 SER 1 85.966 -17.220 11.236 857 HA SER 1 HA SER 1 88.750 -16.906 11.438 858 1HB SER 1 HB2 SER 1 87.596 -18.652 10.153 859 2HB SER 1 HB1 SER 1 86.887 -17.431 9.101 860 HG SER 1 HG SER 1 89.677 -17.601 9.479 861 H TRP 2 HN TRP 2 89.083 -14.597 11.810 862 HA TRP 2 HA TRP 2 88.259 -12.688 9.747 863 1HB TRP 2 HB2 TRP 2 89.810 -12.575 12.318 864 2HB TRP 2 HB1 TRP 2 90.050 -11.267 11.167 865 HD1 TRP 2 HD1 TRP 2 87.535 -12.701 13.585 866 HE1 TRP 2 HE1 TRP 2 85.538 -11.080 13.785 867 HE3 TRP 2 HE3 TRP 2 88.630 -9.495 9.773 868 HZ2 TRP 2 HZ2 TRP 2 84.544 -8.726 12.492 869 HZ3 TRP 2 HZ3 TRP 2 87.150 -7.570 9.279 870 HH2 TRP 2 HH2 TRP 2 85.116 -7.183 10.633 871 H VAL 3 HN VAL 3 90.327 -11.149 9.164 872 HA VAL 3 HA VAL 3 92.662 -12.747 8.353 873 HB VAL 3 HB VAL 3 91.311 -13.101 6.414 874 1HG1 VAL 3 HG11 VAL 3 90.699 -10.143 6.528 875 2HG1 VAL 3 HG12 VAL 3 89.578 -11.444 6.944 876 3HG1 VAL 3 HG13 VAL 3 90.135 -11.254 5.281 877 1HG2 VAL 3 HG21 VAL 3 92.647 -12.135 4.733 878 2HG2 VAL 3 HG22 VAL 3 93.701 -12.068 6.151 879 3HG2 VAL 3 HG23 VAL 3 92.839 -10.621 5.619 880 1HN PTR 4 HN PTR 4 94.472 -11.493 8.495 881 HA PTR 4 HA PTR 4 94.090 -8.534 8.879 882 1HB PTR 4 HB1 PTR 4 96.336 -8.812 10.161 883 2HB PTR 4 HB2 PTR 4 95.954 -10.534 10.161 884 HD1 PTR 4 HD1 PTR 4 93.364 -11.037 10.809 885 HD2 PTR 4 HD2 PTR 4 95.626 -7.586 12.020 886 HE1 PTR 4 HE1 PTR 4 91.835 -10.704 12.729 887 HE2 PTR 4 HE2 PTR 4 94.093 -7.256 13.939 888 H SER 5 HN SER 5 96.087 -7.263 8.320 889 HA SER 5 HA SER 5 97.308 -8.315 5.802 890 1HB SER 5 HB2 SER 5 97.731 -5.725 5.513 891 2HB SER 5 HB1 SER 5 96.132 -6.387 5.199 892 HG SER 5 HG SER 5 95.463 -5.692 7.184 893 HA PRO 6 HA PRO 6 101.298 -8.218 7.739 894 1HB PRO 6 HB2 PRO 6 102.702 -6.898 5.588 895 2HB PRO 6 HB1 PRO 6 102.646 -8.632 5.933 896 1HG PRO 6 HG2 PRO 6 101.272 -7.166 3.805 897 2HG PRO 6 HG1 PRO 6 101.384 -8.916 4.039 898 1HD PRO 6 HD2 PRO 6 99.071 -7.301 4.455 899 2HD PRO 6 HD1 PRO 6 99.274 -9.004 4.916 900 H LEU 7 HN LEU 7 99.866 -5.332 6.387 901 HA LEU 7 HA LEU 7 101.586 -3.299 7.181 902 1HB LEU 7 HB2 LEU 7 98.568 -3.337 7.483 903 2HB LEU 7 HB1 LEU 7 99.570 -1.890 7.465 904 HG LEU 7 HG LEU 7 99.734 -3.828 5.157 905 1HD1 LEU 7 HD11 LEU 7 97.958 -2.493 4.018 906 2HD1 LEU 7 HD12 LEU 7 97.630 -1.678 5.547 907 3HD1 LEU 7 HD13 LEU 7 97.341 -3.411 5.392 908 1HD2 LEU 7 HD21 LEU 7 100.000 -0.809 5.391 909 2HD2 LEU 7 HD22 LEU 7 100.273 -1.754 3.927 910 3HD2 LEU 7 HD23 LEU 7 101.345 -1.949 5.311 911 H HIS 8 HN HIS 8 102.517 -2.897 9.132 912 HA HIS 8 HA HIS 8 101.741 -4.226 11.545 913 1HB HIS 8 HB2 HIS 8 103.505 -1.840 10.965 914 2HB HIS 8 HB1 HIS 8 103.231 -2.405 12.610 915 HD1 HIS 8 HD1 HIS 8 104.907 -4.069 13.382 916 HD2 HIS 8 HD2 HIS 8 104.406 -4.223 9.246 917 HE1 HIS 8 HE1 HIS 8 106.518 -5.828 12.530 Start of MODEL 15 1 1H LEU 1 HT1 LEU 1 87.165 17.052 -11.891 2 2H LEU 1 HT2 LEU 1 88.482 16.825 -10.841 3 3H LEU 1 HT3 LEU 1 86.907 16.447 -10.328 4 HA LEU 1 HA LEU 1 86.794 14.717 -12.067 5 1HB LEU 1 HB2 LEU 1 88.711 15.916 -13.356 6 2HB LEU 1 HB1 LEU 1 89.788 15.065 -12.253 7 HG LEU 1 HG LEU 1 88.390 12.937 -12.963 8 1HD1 LEU 1 HD11 LEU 1 87.888 14.868 -15.252 9 2HD1 LEU 1 HD12 LEU 1 86.674 14.043 -14.275 10 3HD1 LEU 1 HD13 LEU 1 87.693 13.121 -15.377 11 1HD2 LEU 1 HD21 LEU 1 89.923 12.691 -14.990 12 2HD2 LEU 1 HD22 LEU 1 90.727 13.071 -13.467 13 3HD2 LEU 1 HD23 LEU 1 90.466 14.338 -14.666 14 H LYS 2 HN LYS 2 86.512 14.644 -9.452 15 HA LYS 2 HA LYS 2 88.592 13.523 -7.891 16 1HB LYS 2 HB2 LYS 2 85.583 13.438 -7.730 17 2HB LYS 2 HB1 LYS 2 86.572 12.553 -6.568 18 1HG LYS 2 HG2 LYS 2 85.947 14.857 -5.801 19 2HG LYS 2 HG1 LYS 2 87.684 14.586 -5.873 20 1HD LYS 2 HD2 LYS 2 87.896 15.823 -7.898 21 2HD LYS 2 HD1 LYS 2 86.152 15.824 -8.161 22 1HE LYS 2 HE2 LYS 2 87.586 17.220 -5.884 23 2HE LYS 2 HE1 LYS 2 86.922 18.011 -7.313 24 1HZ LYS 2 HZ1 LYS 2 85.485 16.664 -5.116 25 2HZ LYS 2 HZ2 LYS 2 84.750 16.889 -6.631 26 3HZ LYS 2 HZ3 LYS 2 85.264 18.231 -5.725 27 H THR 3 HN THR 3 87.257 12.286 -10.638 28 HA THR 3 HA THR 3 87.101 9.477 -9.841 29 HB THR 3 HB THR 3 87.270 10.542 -12.661 30 HG1 THR 3 HG1 THR 3 85.663 11.647 -11.421 31 1HG2 THR 3 HG21 THR 3 85.584 8.251 -11.693 32 2HG2 THR 3 HG22 THR 3 87.307 8.005 -11.985 33 3HG2 THR 3 HG23 THR 3 86.256 8.535 -13.298 34 H TYR 4 HN TYR 4 89.138 11.230 -12.141 35 HA TYR 4 HA TYR 4 91.357 10.898 -12.790 36 1HB TYR 4 HB2 TYR 4 91.538 11.230 -10.231 37 2HB TYR 4 HB1 TYR 4 91.780 9.491 -10.163 38 HD1 TYR 4 HD1 TYR 4 93.356 12.642 -10.681 39 HD2 TYR 4 HD2 TYR 4 93.604 8.493 -11.742 40 HE1 TYR 4 HE1 TYR 4 95.734 12.951 -11.314 41 HE2 TYR 4 HE2 TYR 4 95.985 8.797 -12.375 42 HH TYR 4 HH TYR 4 97.811 11.377 -11.462 43 H GLY 5 HN GLY 5 91.021 8.008 -10.789 44 1HA GLY 5 HA2 GLY 5 90.465 6.184 -12.916 45 2HA GLY 5 HA1 GLY 5 92.209 6.251 -12.659 46 H VAL 6 HN VAL 6 89.176 5.862 -10.834 47 HA VAL 6 HA VAL 6 90.583 3.893 -9.053 48 HB VAL 6 HB VAL 6 88.412 5.846 -8.232 49 1HG1 VAL 6 HG11 VAL 6 90.188 3.972 -6.638 50 2HG1 VAL 6 HG12 VAL 6 88.470 3.732 -6.955 51 3HG1 VAL 6 HG13 VAL 6 89.003 5.087 -5.960 52 1HG2 VAL 6 HG21 VAL 6 90.371 6.822 -6.877 53 2HG2 VAL 6 HG22 VAL 6 90.363 7.162 -8.606 54 3HG2 VAL 6 HG23 VAL 6 91.426 5.913 -7.958 55 H SER 7 HN SER 7 89.441 2.004 -8.651 56 HA SER 7 HA SER 7 87.117 1.497 -10.368 57 1HB SER 7 HB2 SER 7 88.280 -0.382 -8.317 58 2HB SER 7 HB1 SER 7 87.377 -0.782 -9.772 59 HG SER 7 HG SER 7 89.500 -1.077 -10.273 60 H PHE 8 HN PHE 8 85.165 2.097 -9.686 61 HA PHE 8 HA PHE 8 84.537 2.303 -6.788 62 1HB PHE 8 HB2 PHE 8 82.688 2.951 -9.089 63 2HB PHE 8 HB1 PHE 8 82.700 3.622 -7.459 64 HD1 PHE 8 HD1 PHE 8 84.556 5.141 -6.739 65 HD2 PHE 8 HD2 PHE 8 84.108 3.833 -10.806 66 HE1 PHE 8 HE1 PHE 8 86.080 6.947 -7.487 67 HE2 PHE 8 HE2 PHE 8 85.632 5.641 -11.554 68 HZ PHE 8 HZ PHE 8 86.620 7.194 -9.892 69 H PHE 9 HN PHE 9 83.529 0.635 -5.775 70 HA PHE 9 HA PHE 9 82.184 -1.471 -7.422 71 1HB PHE 9 HB2 PHE 9 83.355 -1.422 -4.635 72 2HB PHE 9 HB1 PHE 9 82.268 -2.710 -5.148 73 HD1 PHE 9 HD1 PHE 9 85.473 -0.994 -5.990 74 HD2 PHE 9 HD2 PHE 9 83.045 -4.502 -6.494 75 HE1 PHE 9 HE1 PHE 9 87.372 -2.153 -7.087 76 HE2 PHE 9 HE2 PHE 9 84.945 -5.659 -7.594 77 HZ PHE 9 HZ PHE 9 87.107 -4.482 -7.891 78 H LEU 10 HN LEU 10 79.965 -1.637 -7.332 79 HA LEU 10 HA LEU 10 78.467 0.247 -5.664 80 1HB LEU 10 HB2 LEU 10 77.570 -0.230 -7.854 81 2HB LEU 10 HB1 LEU 10 77.587 -1.961 -7.546 82 HG LEU 10 HG LEU 10 76.036 -0.434 -5.508 83 1HD1 LEU 10 HD11 LEU 10 74.142 0.097 -6.901 84 2HD1 LEU 10 HD12 LEU 10 74.926 -0.595 -8.322 85 3HD1 LEU 10 HD13 LEU 10 75.557 0.884 -7.601 86 1HD2 LEU 10 HD21 LEU 10 75.441 -2.818 -7.298 87 2HD2 LEU 10 HD22 LEU 10 74.356 -2.216 -6.046 88 3HD2 LEU 10 HD23 LEU 10 75.933 -2.864 -5.605 89 H VAL 11 HN VAL 11 78.040 -0.138 -3.616 90 HA VAL 11 HA VAL 11 77.488 -2.944 -2.727 91 HB VAL 11 HB VAL 11 78.725 -2.552 -0.689 92 1HG1 VAL 11 HG11 VAL 11 79.956 -3.125 -2.895 93 2HG1 VAL 11 HG12 VAL 11 80.938 -2.539 -1.551 94 3HG1 VAL 11 HG13 VAL 11 80.508 -1.450 -2.870 95 1HG2 VAL 11 HG21 VAL 11 79.012 0.262 -1.774 96 2HG2 VAL 11 HG22 VAL 11 80.026 -0.359 -0.473 97 3HG2 VAL 11 HG23 VAL 11 78.282 -0.236 -0.248 98 H LYS 12 HN LYS 12 75.971 -3.039 -0.968 99 HA LYS 12 HA LYS 12 74.285 -0.570 -0.747 100 1HB LYS 12 HB2 LYS 12 73.683 -3.451 -1.018 101 2HB LYS 12 HB1 LYS 12 72.755 -2.666 0.257 102 1HG LYS 12 HG2 LYS 12 71.880 -1.032 -1.288 103 2HG LYS 12 HG1 LYS 12 72.964 -1.589 -2.574 104 1HD LYS 12 HD2 LYS 12 71.846 -3.846 -2.411 105 2HD LYS 12 HD1 LYS 12 70.678 -3.123 -1.306 106 1HE LYS 12 HE2 LYS 12 69.699 -3.047 -3.500 107 2HE LYS 12 HE1 LYS 12 70.198 -1.402 -3.105 108 1HZ LYS 12 HZ1 LYS 12 71.808 -3.324 -4.694 109 2HZ LYS 12 HZ2 LYS 12 72.192 -1.699 -4.383 110 3HZ LYS 12 HZ3 LYS 12 70.854 -2.088 -5.355 111 H GLU 13 HN GLU 13 73.665 0.142 1.267 112 HA GLU 13 HA GLU 13 75.114 -1.082 3.601 113 1HB GLU 13 HB2 GLU 13 74.426 1.844 3.283 114 2HB GLU 13 HB1 GLU 13 75.517 1.107 4.459 115 1HG GLU 13 HG2 GLU 13 76.890 0.306 2.449 116 2HG GLU 13 HG1 GLU 13 75.923 1.415 1.483 117 H LYS 14 HN LYS 14 74.045 -0.698 5.670 118 HA LYS 14 HA LYS 14 71.072 -0.700 5.396 119 1HB LYS 14 HB2 LYS 14 73.007 -1.902 7.376 120 2HB LYS 14 HB1 LYS 14 71.336 -1.606 7.855 121 1HG LYS 14 HG2 LYS 14 71.729 -3.914 6.952 122 2HG LYS 14 HG1 LYS 14 70.509 -3.004 6.061 123 1HD LYS 14 HD2 LYS 14 71.941 -2.618 4.230 124 2HD LYS 14 HD1 LYS 14 73.394 -2.957 5.176 125 1HE LYS 14 HE2 LYS 14 72.970 -5.294 5.195 126 2HE LYS 14 HE1 LYS 14 71.304 -5.077 4.660 127 1HZ LYS 14 HZ1 LYS 14 72.645 -5.805 2.834 128 2HZ LYS 14 HZ2 LYS 14 73.756 -4.543 3.075 129 3HZ LYS 14 HZ3 LYS 14 72.175 -4.200 2.554 130 H MET 15 HN MET 15 70.198 1.225 5.838 131 HA MET 15 HA MET 15 71.572 3.315 7.260 132 1HB MET 15 HB2 MET 15 68.845 2.892 6.102 133 2HB MET 15 HB1 MET 15 69.032 4.200 7.251 134 1HG MET 15 HG2 MET 15 70.944 3.886 4.949 135 2HG MET 15 HG1 MET 15 69.409 4.734 4.747 136 1HE MET 15 HE1 MET 15 69.801 7.197 4.497 137 2HE MET 15 HE2 MET 15 69.936 8.113 5.996 138 3HE MET 15 HE3 MET 15 68.717 6.849 5.851 139 H LYS 16 HN LYS 16 71.100 4.139 9.346 140 HA LYS 16 HA LYS 16 71.215 3.302 11.657 141 1HB LYS 16 HB2 LYS 16 68.318 3.993 11.275 142 2HB LYS 16 HB1 LYS 16 69.360 4.337 12.643 143 1HG LYS 16 HG2 LYS 16 69.233 6.406 11.551 144 2HG LYS 16 HG1 LYS 16 70.767 5.747 11.000 145 1HD LYS 16 HD2 LYS 16 70.047 5.536 8.828 146 2HD LYS 16 HD1 LYS 16 68.428 5.012 9.296 147 1HE LYS 16 HE2 LYS 16 69.417 7.874 9.502 148 2HE LYS 16 HE1 LYS 16 68.481 7.246 8.147 149 1HZ LYS 16 HZ1 LYS 16 66.631 7.496 9.309 150 2HZ LYS 16 HZ2 LYS 16 67.523 8.209 10.566 151 3HZ LYS 16 HZ3 LYS 16 67.232 6.535 10.570 152 H GLY 17 HN GLY 17 67.956 2.325 10.665 153 1HA GLY 17 HA2 GLY 17 68.566 -0.480 11.427 154 2HA GLY 17 HA1 GLY 17 67.288 0.353 12.314 155 H LYS 18 HN LYS 18 67.138 1.733 9.356 156 HA LYS 18 HA LYS 18 64.677 0.588 8.623 157 1HB LYS 18 HB2 LYS 18 66.348 1.275 6.257 158 2HB LYS 18 HB1 LYS 18 64.784 1.915 6.757 159 1HG LYS 18 HG2 LYS 18 67.435 2.669 7.977 160 2HG LYS 18 HG1 LYS 18 66.557 3.634 6.809 161 1HD LYS 18 HD2 LYS 18 65.119 2.799 9.324 162 2HD LYS 18 HD1 LYS 18 66.285 4.102 9.415 163 1HE LYS 18 HE2 LYS 18 64.156 4.108 7.298 164 2HE LYS 18 HE1 LYS 18 63.821 4.713 8.917 165 1HZ LYS 18 HZ1 LYS 18 66.108 5.946 8.423 166 2HZ LYS 18 HZ2 LYS 18 64.599 6.611 8.016 167 3HZ LYS 18 HZ3 LYS 18 65.527 5.818 6.835 168 H ASN 19 HN ASN 19 64.121 -1.419 7.929 169 HA ASN 19 HA ASN 19 66.057 -3.486 7.504 170 1HB ASN 19 HB2 ASN 19 63.134 -3.181 6.842 171 2HB ASN 19 HB1 ASN 19 64.027 -4.597 6.296 172 1HD2 ASN 19 HD21 ASN 19 63.678 -6.300 7.729 173 2HD2 ASN 19 HD22 ASN 19 63.595 -6.153 9.418 174 H LYS 20 HN LYS 20 65.218 -0.815 5.761 175 HA LYS 20 HA LYS 20 65.381 -1.756 3.060 176 1HB LYS 20 HB2 LYS 20 64.764 0.635 4.325 177 2HB LYS 20 HB1 LYS 20 66.284 1.015 3.538 178 1HG LYS 20 HG2 LYS 20 64.722 1.534 1.876 179 2HG LYS 20 HG1 LYS 20 65.202 -0.099 1.443 180 1HD LYS 20 HD2 LYS 20 62.879 -0.303 1.351 181 2HD LYS 20 HD1 LYS 20 63.184 -0.798 3.015 182 1HE LYS 20 HE2 LYS 20 62.641 1.445 3.821 183 2HE LYS 20 HE1 LYS 20 62.460 2.028 2.167 184 1HZ LYS 20 HZ1 LYS 20 60.423 1.183 2.027 185 2HZ LYS 20 HZ2 LYS 20 60.477 1.014 3.716 186 3HZ LYS 20 HZ3 LYS 20 60.879 -0.299 2.715 187 H LEU 21 HN LEU 21 67.226 -0.424 1.756 188 HA LEU 21 HA LEU 21 69.893 -0.872 2.993 189 1HB LEU 21 HB2 LEU 21 69.426 -1.801 0.151 190 2HB LEU 21 HB1 LEU 21 70.715 -2.243 1.260 191 HG LEU 21 HG LEU 21 67.843 -3.046 1.779 192 1HD1 LEU 21 HD11 LEU 21 68.561 -3.890 -0.450 193 2HD1 LEU 21 HD12 LEU 21 68.320 -5.184 0.723 194 3HD1 LEU 21 HD13 LEU 21 69.952 -4.652 0.321 195 1HD2 LEU 21 HD21 LEU 21 68.780 -4.576 3.321 196 2HD2 LEU 21 HD22 LEU 21 69.746 -3.121 3.553 197 3HD2 LEU 21 HD23 LEU 21 70.384 -4.456 2.599 198 H VAL 22 HN VAL 22 71.579 0.343 1.790 199 HA VAL 22 HA VAL 22 70.420 2.494 0.038 200 HB VAL 22 HB VAL 22 72.261 2.706 2.413 201 1HG1 VAL 22 HG11 VAL 22 72.559 5.148 1.643 202 2HG1 VAL 22 HG12 VAL 22 72.048 4.588 0.051 203 3HG1 VAL 22 HG13 VAL 22 73.507 3.929 0.791 204 1HG2 VAL 22 HG21 VAL 22 70.702 4.706 2.806 205 2HG2 VAL 22 HG22 VAL 22 69.974 3.108 2.959 206 3HG2 VAL 22 HG23 VAL 22 69.707 4.065 1.503 207 HA PRO 23 HA PRO 23 73.701 0.689 -2.588 208 1HB PRO 23 HB2 PRO 23 73.079 2.969 -4.368 209 2HB PRO 23 HB1 PRO 23 73.034 1.253 -4.731 210 1HG PRO 23 HG2 PRO 23 70.782 2.839 -4.404 211 2HG PRO 23 HG1 PRO 23 70.798 1.084 -4.158 212 1HD PRO 23 HD2 PRO 23 70.649 3.242 -2.131 213 2HD PRO 23 HD1 PRO 23 70.202 1.525 -1.985 214 H ARG 24 HN ARG 24 75.865 1.350 -2.957 215 HA ARG 24 HA ARG 24 76.641 4.159 -2.492 216 1HB ARG 24 HB2 ARG 24 76.448 2.928 -0.222 217 2HB ARG 24 HB1 ARG 24 77.862 2.020 -0.739 218 1HG ARG 24 HG2 ARG 24 78.889 3.774 0.393 219 2HG ARG 24 HG1 ARG 24 78.854 4.434 -1.241 220 1HD ARG 24 HD2 ARG 24 78.021 6.167 0.180 221 2HD ARG 24 HD1 ARG 24 76.601 5.482 -0.607 222 HE ARG 24 HE ARG 24 76.794 4.024 1.726 223 1HH1 ARG 24 HH21 ARG 24 76.747 7.365 0.876 224 2HH1 ARG 24 HH22 ARG 24 75.981 7.865 2.348 225 1HH2 ARG 24 HH11 ARG 24 75.792 4.656 3.649 226 2HH2 ARG 24 HH12 ARG 24 75.440 6.331 3.917 227 H LEU 25 HN LEU 25 78.696 4.604 -3.365 228 HA LEU 25 HA LEU 25 79.893 2.389 -4.981 229 1HB LEU 25 HB2 LEU 25 79.845 5.388 -5.216 230 2HB LEU 25 HB1 LEU 25 81.057 4.450 -6.074 231 HG LEU 25 HG LEU 25 78.076 3.949 -6.276 232 1HD1 LEU 25 HD11 LEU 25 78.067 5.194 -8.329 233 2HD1 LEU 25 HD12 LEU 25 79.820 5.376 -8.297 234 3HD1 LEU 25 HD13 LEU 25 78.825 6.222 -7.117 235 1HD2 LEU 25 HD21 LEU 25 80.518 2.763 -7.561 236 2HD2 LEU 25 HD22 LEU 25 79.073 2.936 -8.556 237 3HD2 LEU 25 HD23 LEU 25 79.011 1.990 -7.079 238 H LEU 26 HN LEU 26 82.053 1.845 -4.631 239 HA LEU 26 HA LEU 26 83.506 3.319 -2.461 240 1HB LEU 26 HB2 LEU 26 82.462 1.134 -1.728 241 2HB LEU 26 HB1 LEU 26 83.500 0.323 -2.893 242 HG LEU 26 HG LEU 26 85.468 1.506 -1.708 243 1HD1 LEU 26 HD11 LEU 26 83.222 1.976 0.268 244 2HD1 LEU 26 HD12 LEU 26 84.393 3.139 -0.349 245 3HD1 LEU 26 HD13 LEU 26 84.907 1.890 0.777 246 1HD2 LEU 26 HD21 LEU 26 85.631 -0.274 -0.057 247 2HD2 LEU 26 HD22 LEU 26 84.886 -0.929 -1.514 248 3HD2 LEU 26 HD23 LEU 26 83.888 -0.536 -0.115 249 H GLY 27 HN GLY 27 85.135 4.277 -3.520 250 1HA GLY 27 HA2 GLY 27 86.465 3.072 -5.816 251 2HA GLY 27 HA1 GLY 27 86.835 4.634 -5.115 252 H ILE 28 HN ILE 28 88.234 1.795 -5.699 253 HA ILE 28 HA ILE 28 89.704 1.641 -3.092 254 HB ILE 28 HB ILE 28 89.883 -0.296 -5.419 255 1HG1 ILE 28 HG12 ILE 28 87.567 -0.334 -4.755 256 2HG1 ILE 28 HG11 ILE 28 88.337 -1.731 -4.008 257 1HG2 ILE 28 HG21 ILE 28 91.715 -0.472 -3.871 258 2HG2 ILE 28 HG22 ILE 28 90.624 -1.819 -3.551 259 3HG2 ILE 28 HG23 ILE 28 90.625 -0.413 -2.488 260 1HD1 ILE 28 HD11 ILE 28 87.098 -0.812 -2.245 261 2HD1 ILE 28 HD12 ILE 28 87.457 0.842 -2.731 262 3HD1 ILE 28 HD13 ILE 28 88.705 -0.144 -1.973 263 H THR 29 HN THR 29 91.461 2.965 -3.125 264 HA THR 29 HA THR 29 93.006 3.235 -5.680 265 HB THR 29 HB THR 29 93.405 5.037 -3.296 266 HG1 THR 29 HG1 THR 29 91.139 4.784 -4.850 267 1HG2 THR 29 HG21 THR 29 94.879 5.252 -5.252 268 2HG2 THR 29 HG22 THR 29 93.852 6.677 -5.094 269 3HG2 THR 29 HG23 THR 29 93.474 5.446 -6.300 270 H LYS 30 HN LYS 30 95.397 3.364 -5.368 271 HA LYS 30 HA LYS 30 96.315 1.152 -3.737 272 1HB LYS 30 HB2 LYS 30 98.523 1.686 -4.639 273 2HB LYS 30 HB1 LYS 30 97.330 1.776 -5.936 274 1HG LYS 30 HG2 LYS 30 97.150 4.269 -5.415 275 2HG LYS 30 HG1 LYS 30 98.579 4.066 -4.410 276 1HD LYS 30 HD2 LYS 30 99.369 4.789 -6.549 277 2HD LYS 30 HD1 LYS 30 99.746 3.073 -6.432 278 1HE LYS 30 HE2 LYS 30 98.122 2.474 -7.999 279 2HE LYS 30 HE1 LYS 30 97.133 3.898 -7.680 280 1HZ LYS 30 HZ1 LYS 30 99.083 3.549 -9.652 281 2HZ LYS 30 HZ2 LYS 30 99.634 4.752 -8.586 282 3HZ LYS 30 HZ3 LYS 30 98.126 4.917 -9.350 283 H GLU 31 HN GLU 31 95.979 4.549 -3.282 284 HA GLU 31 HA GLU 31 97.802 4.535 -0.925 285 1HB GLU 31 HB2 GLU 31 96.399 6.795 -2.368 286 2HB GLU 31 HB1 GLU 31 97.444 6.999 -0.968 287 1HG GLU 31 HG2 GLU 31 99.161 5.636 -2.467 288 2HG GLU 31 HG1 GLU 31 98.155 6.238 -3.776 289 H CYS 32 HN CYS 32 94.412 4.459 -1.721 290 HA CYS 32 HA CYS 32 93.700 4.169 1.063 291 1HB CYS 32 HB2 CYS 32 92.212 6.416 0.851 292 2HB CYS 32 HB1 CYS 32 93.848 6.445 1.487 293 HG CYS 32 HG CYS 32 93.523 6.902 -1.563 294 H VAL 33 HN VAL 33 91.288 4.144 1.352 295 HA VAL 33 HA VAL 33 89.951 3.089 -1.110 296 HB VAL 33 HB VAL 33 89.200 2.918 1.835 297 1HG1 VAL 33 HG11 VAL 33 87.875 1.804 -0.649 298 2HG1 VAL 33 HG12 VAL 33 87.185 2.952 0.497 299 3HG1 VAL 33 HG13 VAL 33 87.483 1.285 0.990 300 1HG2 VAL 33 HG21 VAL 33 90.396 0.964 -0.138 301 2HG2 VAL 33 HG22 VAL 33 89.607 0.435 1.349 302 3HG2 VAL 33 HG23 VAL 33 91.041 1.460 1.428 303 H MET 34 HN MET 34 88.253 4.328 -2.000 304 HA MET 34 HA MET 34 87.714 6.922 -0.622 305 1HB MET 34 HB2 MET 34 86.789 6.302 -3.402 306 2HB MET 34 HB1 MET 34 87.261 7.847 -2.700 307 1HG MET 34 HG2 MET 34 89.621 6.805 -2.483 308 2HG MET 34 HG1 MET 34 89.033 5.585 -3.613 309 1HE MET 34 HE1 MET 34 89.110 9.435 -2.954 310 2HE MET 34 HE2 MET 34 90.088 9.940 -4.329 311 3HE MET 34 HE3 MET 34 90.747 8.797 -3.161 312 H ARG 35 HN ARG 35 85.719 7.508 0.087 313 HA ARG 35 HA ARG 35 83.568 5.432 -0.095 314 1HB ARG 35 HB2 ARG 35 83.868 7.984 1.524 315 2HB ARG 35 HB1 ARG 35 82.373 7.060 1.472 316 1HG ARG 35 HG2 ARG 35 84.036 5.041 2.121 317 2HG ARG 35 HG1 ARG 35 84.997 6.373 2.763 318 1HD ARG 35 HD2 ARG 35 82.335 5.343 3.667 319 2HD ARG 35 HD1 ARG 35 83.692 5.930 4.627 320 HE ARG 35 HE ARG 35 82.760 8.185 3.283 321 1HH1 ARG 35 HH21 ARG 35 81.457 5.736 5.332 322 2HH1 ARG 35 HH22 ARG 35 80.238 6.764 6.008 323 1HH2 ARG 35 HH11 ARG 35 81.177 9.541 4.157 324 2HH2 ARG 35 HH12 ARG 35 80.079 8.918 5.343 325 H VAL 36 HN VAL 36 82.178 5.659 -1.782 326 HA VAL 36 HA VAL 36 81.664 8.422 -2.826 327 HB VAL 36 HB VAL 36 81.914 5.879 -4.439 328 1HG1 VAL 36 HG11 VAL 36 80.427 7.644 -5.391 329 2HG1 VAL 36 HG12 VAL 36 81.877 7.399 -6.364 330 3HG1 VAL 36 HG13 VAL 36 81.764 8.789 -5.286 331 1HG2 VAL 36 HG21 VAL 36 84.107 6.367 -3.677 332 2HG2 VAL 36 HG22 VAL 36 83.864 8.103 -3.848 333 3HG2 VAL 36 HG23 VAL 36 84.020 7.091 -5.282 334 H ASP 37 HN ASP 37 79.558 8.945 -2.858 335 HA ASP 37 HA ASP 37 77.528 7.015 -2.101 336 1HB ASP 37 HB2 ASP 37 77.497 9.545 -1.647 337 2HB ASP 37 HB1 ASP 37 77.032 9.735 -3.336 338 H GLU 38 HN GLU 38 75.876 6.185 -3.449 339 HA GLU 38 HA GLU 38 76.669 5.888 -6.282 340 1HB GLU 38 HB2 GLU 38 75.878 4.013 -4.696 341 2HB GLU 38 HB1 GLU 38 74.280 4.708 -4.889 342 1HG GLU 38 HG2 GLU 38 75.978 3.888 -7.248 343 2HG GLU 38 HG1 GLU 38 74.854 2.788 -6.450 344 H LYS 39 HN LYS 39 74.556 7.581 -4.276 345 HA LYS 39 HA LYS 39 72.497 8.213 -6.192 346 1HB LYS 39 HB2 LYS 39 72.183 8.248 -3.734 347 2HB LYS 39 HB1 LYS 39 73.303 9.598 -3.638 348 1HG LYS 39 HG2 LYS 39 71.820 10.941 -5.092 349 2HG LYS 39 HG1 LYS 39 70.684 9.593 -5.164 350 1HD LYS 39 HD2 LYS 39 70.436 9.694 -2.699 351 2HD LYS 39 HD1 LYS 39 71.532 11.075 -2.660 352 1HE LYS 39 HE2 LYS 39 68.941 11.005 -4.230 353 2HE LYS 39 HE1 LYS 39 69.114 11.737 -2.635 354 1HZ LYS 39 HZ1 LYS 39 71.183 12.696 -4.236 355 2HZ LYS 39 HZ2 LYS 39 69.862 13.560 -3.609 356 3HZ LYS 39 HZ3 LYS 39 69.755 12.833 -5.141 357 H THR 40 HN THR 40 75.162 10.080 -4.751 358 HA THR 40 HA THR 40 74.902 12.090 -6.939 359 HB THR 40 HB THR 40 76.482 13.415 -5.476 360 HG1 THR 40 HG1 THR 40 76.741 12.634 -3.367 361 1HG2 THR 40 HG21 THR 40 74.755 14.071 -3.930 362 2HG2 THR 40 HG22 THR 40 73.962 12.501 -4.071 363 3HG2 THR 40 HG23 THR 40 73.967 13.613 -5.439 364 H LYS 41 HN LYS 41 76.653 9.287 -6.367 365 HA LYS 41 HA LYS 41 78.743 8.530 -7.172 366 1HB LYS 41 HB2 LYS 41 77.991 10.572 -9.280 367 2HB LYS 41 HB1 LYS 41 79.312 9.424 -9.455 368 1HG LYS 41 HG2 LYS 41 77.651 8.174 -10.476 369 2HG LYS 41 HG1 LYS 41 77.361 7.669 -8.815 370 1HD LYS 41 HD2 LYS 41 75.211 8.283 -9.478 371 2HD LYS 41 HD1 LYS 41 75.773 9.784 -8.753 372 1HE LYS 41 HE2 LYS 41 76.529 10.497 -11.074 373 2HE LYS 41 HE1 LYS 41 75.677 9.086 -11.698 374 1HZ LYS 41 HZ1 LYS 41 73.755 10.143 -11.525 375 2HZ LYS 41 HZ2 LYS 41 74.603 11.559 -11.121 376 3HZ LYS 41 HZ3 LYS 41 74.034 10.527 -9.897 377 H GLU 42 HN GLU 42 78.648 10.979 -5.371 378 HA GLU 42 HA GLU 42 81.164 12.348 -6.225 379 1HB GLU 42 HB2 GLU 42 78.768 13.236 -4.972 380 2HB GLU 42 HB1 GLU 42 80.030 13.395 -3.760 381 1HG GLU 42 HG2 GLU 42 79.922 15.454 -5.027 382 2HG GLU 42 HG1 GLU 42 81.408 14.617 -5.463 383 H VAL 43 HN VAL 43 82.811 12.697 -4.499 384 HA VAL 43 HA VAL 43 83.272 10.199 -3.008 385 HB VAL 43 HB VAL 43 84.913 12.723 -3.377 386 1HG1 VAL 43 HG11 VAL 43 85.503 11.930 -1.202 387 2HG1 VAL 43 HG12 VAL 43 86.740 11.298 -2.289 388 3HG1 VAL 43 HG13 VAL 43 85.442 10.246 -1.723 389 1HG2 VAL 43 HG21 VAL 43 84.744 11.197 -5.322 390 2HG2 VAL 43 HG22 VAL 43 85.307 9.866 -4.313 391 3HG2 VAL 43 HG23 VAL 43 86.377 11.221 -4.659 392 H ILE 44 HN ILE 44 82.620 9.943 -0.934 393 HA ILE 44 HA ILE 44 81.757 12.336 0.593 394 HB ILE 44 HB ILE 44 81.407 9.436 1.355 395 1HG1 ILE 44 HG12 ILE 44 80.394 9.682 -0.829 396 2HG1 ILE 44 HG11 ILE 44 79.097 9.719 0.364 397 1HG2 ILE 44 HG21 ILE 44 81.041 11.037 3.151 398 2HG2 ILE 44 HG22 ILE 44 79.482 10.402 2.623 399 3HG2 ILE 44 HG23 ILE 44 79.999 12.009 2.113 400 1HD1 ILE 44 HD11 ILE 44 80.285 12.013 -1.194 401 2HD1 ILE 44 HD12 ILE 44 79.387 12.296 0.296 402 3HD1 ILE 44 HD13 ILE 44 78.596 11.526 -1.076 403 H GLN 45 HN GLN 45 84.155 9.747 0.666 404 HA GLN 45 HA GLN 45 85.793 11.239 2.513 405 1HB GLN 45 HB2 GLN 45 84.118 10.452 4.141 406 2HB GLN 45 HB1 GLN 45 84.407 8.792 3.635 407 1HG GLN 45 HG2 GLN 45 86.577 8.745 4.537 408 2HG GLN 45 HG1 GLN 45 86.687 10.506 4.604 409 1HE2 GLN 45 HE21 GLN 45 87.127 10.514 6.914 410 2HE2 GLN 45 HE22 GLN 45 85.925 10.127 8.045 411 H GLU 46 HN GLU 46 87.717 9.952 3.172 412 HA GLU 46 HA GLU 46 88.324 7.667 1.382 413 1HB GLU 46 HB2 GLU 46 89.863 10.227 1.747 414 2HB GLU 46 HB1 GLU 46 90.706 8.746 1.292 415 1HG GLU 46 HG2 GLU 46 89.419 8.522 -0.712 416 2HG GLU 46 HG1 GLU 46 88.295 9.787 -0.212 417 H TRP 47 HN TRP 47 90.142 6.336 2.169 418 HA TRP 47 HA TRP 47 90.753 6.667 5.071 419 1HB TRP 47 HB2 TRP 47 89.716 4.152 3.752 420 2HB TRP 47 HB1 TRP 47 90.363 4.228 5.383 421 HD1 TRP 47 HD1 TRP 47 87.428 5.517 3.270 422 HE1 TRP 47 HE1 TRP 47 85.500 6.161 4.856 423 HE3 TRP 47 HE3 TRP 47 89.740 4.893 7.783 424 HZ2 TRP 47 HZ2 TRP 47 85.001 6.381 7.648 425 HZ3 TRP 47 HZ3 TRP 47 88.512 5.328 9.892 426 HH2 TRP 47 HH2 TRP 47 86.146 6.072 9.831 427 H SER 48 HN SER 48 92.823 5.964 5.617 428 HA SER 48 HA SER 48 94.688 5.559 3.441 429 1HB SER 48 HB2 SER 48 95.050 6.589 5.844 430 2HB SER 48 HB1 SER 48 95.415 4.924 6.275 431 HG SER 48 HG SER 48 97.211 6.287 5.499 432 H LEU 49 HN LEU 49 95.482 3.651 2.628 433 HA LEU 49 HA LEU 49 94.117 1.200 3.173 434 1HB LEU 49 HB2 LEU 49 96.325 2.132 1.464 435 2HB LEU 49 HB1 LEU 49 96.599 0.490 2.033 436 HG LEU 49 HG LEU 49 93.927 1.289 0.873 437 1HD1 LEU 49 HD11 LEU 49 96.426 0.455 -0.612 438 2HD1 LEU 49 HD12 LEU 49 95.448 1.900 -0.871 439 3HD1 LEU 49 HD13 LEU 49 94.807 0.313 -1.297 440 1HD2 LEU 49 HD21 LEU 49 94.410 -0.908 2.154 441 2HD2 LEU 49 HD22 LEU 49 95.357 -1.372 0.741 442 3HD2 LEU 49 HD23 LEU 49 93.631 -1.047 0.579 443 H THR 50 HN THR 50 96.737 2.801 4.732 444 HA THR 50 HA THR 50 97.765 0.398 6.051 445 HB THR 50 HB THR 50 99.143 2.041 7.340 446 HG1 THR 50 HG1 THR 50 98.966 4.233 6.598 447 1HG2 THR 50 HG21 THR 50 100.515 2.711 5.473 448 2HG2 THR 50 HG22 THR 50 99.145 2.613 4.366 449 3HG2 THR 50 HG23 THR 50 99.811 1.143 5.079 450 H ASN 51 HN ASN 51 95.114 2.451 6.475 451 HA ASN 51 HA ASN 51 95.022 2.261 9.408 452 1HB ASN 51 HB2 ASN 51 93.103 3.327 7.326 453 2HB ASN 51 HB1 ASN 51 92.677 3.228 9.032 454 1HD2 ASN 51 HD21 ASN 51 95.387 3.878 10.027 455 2HD2 ASN 51 HD22 ASN 51 95.644 5.519 9.682 456 H ILE 52 HN ILE 52 93.898 0.432 6.673 457 HA ILE 52 HA ILE 52 91.730 -0.934 7.968 458 HB ILE 52 HB ILE 52 93.529 -1.801 5.686 459 1HG1 ILE 52 HG12 ILE 52 90.701 -0.690 5.695 460 2HG1 ILE 52 HG11 ILE 52 92.138 0.275 5.365 461 1HG2 ILE 52 HG21 ILE 52 91.548 -3.351 5.210 462 2HG2 ILE 52 HG22 ILE 52 90.995 -2.989 6.844 463 3HG2 ILE 52 HG23 ILE 52 92.547 -3.788 6.595 464 1HD1 ILE 52 HD11 ILE 52 91.405 -0.320 3.213 465 2HD1 ILE 52 HD12 ILE 52 90.940 -1.944 3.718 466 3HD1 ILE 52 HD13 ILE 52 92.644 -1.530 3.546 467 H LYS 53 HN LYS 53 91.938 -2.200 9.742 468 HA LYS 53 HA LYS 53 94.542 -3.381 10.434 469 1HB LYS 53 HB2 LYS 53 93.125 -2.389 12.194 470 2HB LYS 53 HB1 LYS 53 91.853 -3.553 11.829 471 1HG LYS 53 HG2 LYS 53 93.273 -5.402 12.485 472 2HG LYS 53 HG1 LYS 53 94.654 -4.323 12.685 473 1HD LYS 53 HD2 LYS 53 93.642 -3.228 14.559 474 2HD LYS 53 HD1 LYS 53 92.088 -4.006 14.255 475 1HE LYS 53 HE2 LYS 53 93.083 -6.205 14.748 476 2HE LYS 53 HE1 LYS 53 94.643 -5.437 15.043 477 1HZ LYS 53 HZ1 LYS 53 93.046 -4.012 16.638 478 2HZ LYS 53 HZ2 LYS 53 93.912 -5.383 17.147 479 3HZ LYS 53 HZ3 LYS 53 92.276 -5.521 16.710 480 H ARG 54 HN ARG 54 91.243 -4.601 9.732 481 HA ARG 54 HA ARG 54 92.438 -7.012 8.522 482 1HB ARG 54 HB2 ARG 54 91.583 -8.602 10.004 483 2HB ARG 54 HB1 ARG 54 92.006 -7.314 11.122 484 1HG ARG 54 HG2 ARG 54 89.598 -6.475 10.857 485 2HG ARG 54 HG1 ARG 54 89.259 -7.999 10.042 486 1HD ARG 54 HD2 ARG 54 88.723 -8.641 12.188 487 2HD ARG 54 HD1 ARG 54 90.454 -8.980 12.254 488 HE ARG 54 HE ARG 54 90.219 -6.302 13.015 489 1HH1 ARG 54 HH21 ARG 54 88.918 -9.345 13.980 490 2HH1 ARG 54 HH22 ARG 54 88.720 -8.885 15.638 491 1HH2 ARG 54 HH11 ARG 54 89.966 -5.683 15.174 492 2HH2 ARG 54 HH12 ARG 54 89.312 -6.812 16.314 493 H TRP 55 HN TRP 55 90.469 -8.490 7.816 494 HA TRP 55 HA TRP 55 87.996 -7.046 7.307 495 1HB TRP 55 HB2 TRP 55 88.130 -7.122 4.845 496 2HB TRP 55 HB1 TRP 55 89.408 -6.110 5.512 497 HD1 TRP 55 HD1 TRP 55 88.890 -9.740 4.302 498 HE1 TRP 55 HE1 TRP 55 91.108 -10.571 3.280 499 HE3 TRP 55 HE3 TRP 55 91.861 -5.695 5.234 500 HZ2 TRP 55 HZ2 TRP 55 93.781 -9.634 2.893 501 HZ3 TRP 55 HZ3 TRP 55 94.235 -5.692 4.525 502 HH2 TRP 55 HH2 TRP 55 95.193 -7.658 3.357 503 H ALA 56 HN ALA 56 86.516 -8.439 5.905 504 HA ALA 56 HA ALA 56 87.205 -11.320 5.941 505 1HB ALA 56 HB1 ALA 56 85.308 -11.962 7.286 506 2HB ALA 56 HB2 ALA 56 84.717 -10.302 7.348 507 3HB ALA 56 HB3 ALA 56 86.199 -10.742 8.198 508 H ALA 57 HN ALA 57 86.618 -11.961 3.924 509 HA ALA 57 HA ALA 57 84.439 -10.491 2.520 510 1HB ALA 57 HB1 ALA 57 85.404 -11.225 0.511 511 2HB ALA 57 HB2 ALA 57 86.218 -12.588 1.282 512 3HB ALA 57 HB3 ALA 57 86.802 -10.947 1.547 513 H SER 58 HN SER 58 82.471 -11.388 2.341 514 HA SER 58 HA SER 58 82.199 -14.348 2.639 515 1HB SER 58 HB2 SER 58 80.558 -12.059 3.685 516 2HB SER 58 HB1 SER 58 79.768 -13.593 3.350 517 HG SER 58 HG SER 58 81.572 -14.505 4.649 518 HA PRO 59 HA PRO 59 80.466 -14.322 -1.429 519 1HB PRO 59 HB2 PRO 59 78.258 -16.073 -0.990 520 2HB PRO 59 HB1 PRO 59 79.885 -16.537 -1.507 521 1HG PRO 59 HG2 PRO 59 78.633 -16.807 1.167 522 2HG PRO 59 HG1 PRO 59 80.030 -17.664 0.496 523 1HD PRO 59 HD2 PRO 59 80.158 -15.639 2.430 524 2HD PRO 59 HD1 PRO 59 81.515 -16.170 1.420 525 H LYS 60 HN LYS 60 79.205 -12.545 0.918 526 HA LYS 60 HA LYS 60 76.908 -11.648 -0.746 527 1HB LYS 60 HB2 LYS 60 75.410 -11.629 1.160 528 2HB LYS 60 HB1 LYS 60 76.071 -13.250 0.982 529 1HG LYS 60 HG2 LYS 60 77.920 -12.383 2.640 530 2HG LYS 60 HG1 LYS 60 76.712 -11.172 3.048 531 1HD LYS 60 HD2 LYS 60 75.082 -13.099 3.392 532 2HD LYS 60 HD1 LYS 60 76.480 -14.171 3.285 533 1HE LYS 60 HE2 LYS 60 77.555 -12.876 5.138 534 2HE LYS 60 HE1 LYS 60 76.069 -11.940 5.298 535 1HZ LYS 60 HZ1 LYS 60 75.230 -14.532 5.307 536 2HZ LYS 60 HZ2 LYS 60 75.403 -13.535 6.673 537 3HZ LYS 60 HZ3 LYS 60 76.660 -14.584 6.216 538 H SER 61 HN SER 61 79.073 -11.013 1.994 539 HA SER 61 HA SER 61 78.845 -8.092 1.381 540 1HB SER 61 HB2 SER 61 77.357 -8.266 3.205 541 2HB SER 61 HB1 SER 61 78.362 -9.455 4.023 542 HG SER 61 HG SER 61 79.518 -6.992 3.456 543 H PHE 62 HN PHE 62 80.553 -6.815 2.349 544 HA PHE 62 HA PHE 62 83.095 -8.344 2.829 545 1HB PHE 62 HB2 PHE 62 83.109 -7.125 0.663 546 2HB PHE 62 HB1 PHE 62 82.737 -5.628 1.517 547 HD1 PHE 62 HD1 PHE 62 85.192 -8.464 1.647 548 HD2 PHE 62 HD2 PHE 62 84.523 -4.255 2.166 549 HE1 PHE 62 HE1 PHE 62 87.604 -8.140 2.113 550 HE2 PHE 62 HE2 PHE 62 86.938 -3.931 2.629 551 HZ PHE 62 HZ PHE 62 88.478 -5.873 2.605 552 H THR 63 HN THR 63 84.299 -7.661 4.629 553 HA THR 63 HA THR 63 83.206 -5.332 6.193 554 HB THR 63 HB THR 63 84.041 -8.071 7.182 555 HG1 THR 63 HG1 THR 63 81.767 -7.075 8.163 556 1HG2 THR 63 HG21 THR 63 83.486 -7.070 9.464 557 2HG2 THR 63 HG22 THR 63 83.595 -5.487 8.691 558 3HG2 THR 63 HG23 THR 63 85.008 -6.543 8.745 559 H LEU 64 HN LEU 64 84.750 -3.977 7.049 560 HA LEU 64 HA LEU 64 87.598 -4.842 6.971 561 1HB LEU 64 HB2 LEU 64 88.266 -2.644 6.031 562 2HB LEU 64 HB1 LEU 64 87.368 -3.648 4.906 563 HG LEU 64 HG LEU 64 85.291 -2.275 6.028 564 1HD1 LEU 64 HD11 LEU 64 86.029 0.139 6.116 565 2HD1 LEU 64 HD12 LEU 64 87.696 -0.425 6.112 566 3HD1 LEU 64 HD13 LEU 64 86.625 -0.847 7.450 567 1HD2 LEU 64 HD21 LEU 64 85.517 -2.383 3.660 568 2HD2 LEU 64 HD22 LEU 64 87.061 -1.533 3.690 569 3HD2 LEU 64 HD23 LEU 64 85.568 -0.663 4.041 570 H ASP 65 HN ASP 65 88.893 -3.846 8.507 571 HA ASP 65 HA ASP 65 87.411 -2.274 10.601 572 1HB ASP 65 HB2 ASP 65 88.094 -4.575 11.287 573 2HB ASP 65 HB1 ASP 65 89.770 -4.142 10.957 574 H PHE 66 HN PHE 66 88.161 -0.253 10.912 575 HA PHE 66 HA PHE 66 90.772 0.527 9.742 576 1HB PHE 66 HB2 PHE 66 88.553 2.127 11.054 577 2HB PHE 66 HB1 PHE 66 90.042 2.836 10.436 578 HD1 PHE 66 HD1 PHE 66 90.646 1.943 7.921 579 HD2 PHE 66 HD2 PHE 66 86.706 2.223 9.624 580 HE1 PHE 66 HE1 PHE 66 89.667 2.021 5.648 581 HE2 PHE 66 HE2 PHE 66 85.733 2.307 7.346 582 HZ PHE 66 HZ PHE 66 87.212 2.208 5.359 583 H GLY 67 HN GLY 67 89.711 -0.787 12.558 584 1HA GLY 67 HA2 GLY 67 90.981 -1.154 14.537 585 2HA GLY 67 HA1 GLY 67 92.113 0.095 14.012 586 H ASP 68 HN ASP 68 89.242 1.520 13.524 587 HA ASP 68 HA ASP 68 89.447 3.076 15.994 588 1HB ASP 68 HB2 ASP 68 87.216 3.388 14.005 589 2HB ASP 68 HB1 ASP 68 88.035 4.621 14.957 590 H TYR 69 HN TYR 69 88.900 1.247 17.448 591 HA TYR 69 HA TYR 69 86.578 -0.272 17.487 592 1HB TYR 69 HB2 TYR 69 88.273 -0.536 19.200 593 2HB TYR 69 HB1 TYR 69 87.979 1.096 19.799 594 HD1 TYR 69 HD1 TYR 69 86.194 1.561 21.308 595 HD2 TYR 69 HD2 TYR 69 86.455 -2.266 19.382 596 HE1 TYR 69 HE1 TYR 69 84.409 0.692 22.798 597 HE2 TYR 69 HE2 TYR 69 84.672 -3.139 20.870 598 HH TYR 69 HH TYR 69 83.784 -1.805 23.652 599 H GLN 70 HN GLN 70 86.967 3.115 18.353 600 HA GLN 70 HA GLN 70 84.417 3.580 19.497 601 1HB GLN 70 HB2 GLN 70 84.894 5.976 18.320 602 2HB GLN 70 HB1 GLN 70 85.740 5.456 19.766 603 1HG GLN 70 HG2 GLN 70 86.845 4.716 17.076 604 2HG GLN 70 HG1 GLN 70 87.115 6.334 17.705 605 1HE2 GLN 70 HE21 GLN 70 89.315 4.585 17.329 606 2HE2 GLN 70 HE22 GLN 70 89.929 4.131 18.845 607 H ASP 71 HN ASP 71 85.412 4.260 16.112 608 HA ASP 71 HA ASP 71 82.761 4.745 15.195 609 1HB ASP 71 HB2 ASP 71 85.010 5.290 14.060 610 2HB ASP 71 HB1 ASP 71 84.960 3.635 13.468 611 H GLY 72 HN GLY 72 84.668 1.813 15.498 612 1HA GLY 72 HA2 GLY 72 83.715 -0.378 15.764 613 2HA GLY 72 HA1 GLY 72 82.213 0.212 15.058 614 H TYR 73 HN TYR 73 82.758 -2.005 13.908 615 HA TYR 73 HA TYR 73 84.755 -1.890 11.800 616 1HB TYR 73 HB2 TYR 73 82.394 -3.760 12.135 617 2HB TYR 73 HB1 TYR 73 83.748 -4.002 11.040 618 HD1 TYR 73 HD1 TYR 73 86.139 -3.726 12.229 619 HD2 TYR 73 HD2 TYR 73 82.502 -4.857 14.201 620 HE1 TYR 73 HE1 TYR 73 87.458 -4.780 14.045 621 HE2 TYR 73 HE2 TYR 73 83.815 -5.911 16.022 622 HH TYR 73 HH TYR 73 87.383 -5.848 15.987 623 H TYR 74 HN TYR 74 83.982 -2.327 9.477 624 HA TYR 74 HA TYR 74 81.588 -0.686 8.778 625 1HB TYR 74 HB2 TYR 74 83.679 0.633 8.455 626 2HB TYR 74 HB1 TYR 74 84.280 -0.644 7.405 627 HD1 TYR 74 HD1 TYR 74 81.670 1.965 7.772 628 HD2 TYR 74 HD2 TYR 74 83.518 -0.887 5.145 629 HE1 TYR 74 HE1 TYR 74 80.489 2.976 5.841 630 HE2 TYR 74 HE2 TYR 74 82.338 0.125 3.213 631 HH TYR 74 HH TYR 74 79.764 1.883 3.354 632 H SER 75 HN SER 75 80.278 -2.250 7.964 633 HA SER 75 HA SER 75 81.373 -4.089 5.886 634 1HB SER 75 HB2 SER 75 79.972 -5.863 6.731 635 2HB SER 75 HB1 SER 75 80.919 -5.237 8.075 636 HG SER 75 HG SER 75 78.424 -4.095 7.510 637 H VAL 76 HN VAL 76 80.090 -4.482 4.133 638 HA VAL 76 HA VAL 76 77.365 -3.305 4.012 639 HB VAL 76 HB VAL 76 77.907 -2.138 1.881 640 1HG1 VAL 76 HG11 VAL 76 79.736 -1.296 4.151 641 2HG1 VAL 76 HG12 VAL 76 78.012 -0.938 4.076 642 3HG1 VAL 76 HG13 VAL 76 79.109 -0.263 2.870 643 1HG2 VAL 76 HG21 VAL 76 80.731 -2.993 2.592 644 2HG2 VAL 76 HG22 VAL 76 80.338 -1.803 1.350 645 3HG2 VAL 76 HG23 VAL 76 79.811 -3.476 1.168 646 H GLN 77 HN GLN 77 76.382 -3.958 1.772 647 HA GLN 77 HA GLN 77 76.873 -6.810 1.447 648 1HB GLN 77 HB2 GLN 77 74.920 -4.799 0.407 649 2HB GLN 77 HB1 GLN 77 75.133 -6.265 -0.545 650 1HG GLN 77 HG2 GLN 77 74.633 -6.363 2.434 651 2HG GLN 77 HG1 GLN 77 73.312 -6.299 1.269 652 1HE2 GLN 77 HE21 GLN 77 74.589 -8.542 3.111 653 2HE2 GLN 77 HE22 GLN 77 74.678 -9.869 2.057 654 H THR 78 HN THR 78 77.935 -7.815 -0.227 655 HA THR 78 HA THR 78 78.793 -6.266 -2.589 656 HB THR 78 HB THR 78 81.149 -6.810 -2.305 657 HG1 THR 78 HG1 THR 78 80.320 -7.919 0.171 658 1HG2 THR 78 HG21 THR 78 80.162 -5.623 0.297 659 2HG2 THR 78 HG22 THR 78 80.170 -4.733 -1.225 660 3HG2 THR 78 HG23 THR 78 81.684 -5.293 -0.527 661 H THR 79 HN THR 79 78.119 -7.614 -4.159 662 HA THR 79 HA THR 79 77.756 -10.442 -3.838 663 HB THR 79 HB THR 79 78.117 -8.813 -6.370 664 HG1 THR 79 HG1 THR 79 76.356 -8.223 -4.963 665 1HG2 THR 79 HG21 THR 79 77.077 -11.606 -5.858 666 2HG2 THR 79 HG22 THR 79 78.430 -11.132 -6.885 667 3HG2 THR 79 HG23 THR 79 76.780 -10.729 -7.359 668 H GLU 80 HN GLU 80 80.478 -8.466 -4.525 669 HA GLU 80 HA GLU 80 82.146 -10.887 -5.080 670 1HB GLU 80 HB2 GLU 80 82.724 -8.111 -6.127 671 2HB GLU 80 HB1 GLU 80 83.483 -9.629 -6.604 672 1HG GLU 80 HG2 GLU 80 81.181 -10.390 -7.385 673 2HG GLU 80 HG1 GLU 80 80.658 -8.723 -7.172 674 H GLY 81 HN GLY 81 81.580 -9.748 -2.503 675 1HA GLY 81 HA2 GLY 81 83.461 -7.922 -1.508 676 2HA GLY 81 HA1 GLY 81 82.824 -9.266 -0.559 677 H GLU 82 HN GLU 82 84.020 -10.965 -2.918 678 HA GLU 82 HA GLU 82 86.507 -11.574 -1.525 679 1HB GLU 82 HB2 GLU 82 85.377 -13.451 -2.452 680 2HB GLU 82 HB1 GLU 82 85.137 -12.641 -3.994 681 1HG GLU 82 HG2 GLU 82 87.387 -12.881 -4.614 682 2HG GLU 82 HG1 GLU 82 87.902 -13.216 -2.968 683 H GLN 83 HN GLN 83 85.773 -10.590 -4.869 684 HA GLN 83 HA GLN 83 88.408 -10.019 -5.677 685 1HB GLN 83 HB2 GLN 83 85.976 -8.420 -6.485 686 2HB GLN 83 HB1 GLN 83 87.450 -8.637 -7.412 687 1HG GLN 83 HG2 GLN 83 86.974 -10.967 -7.753 688 2HG GLN 83 HG1 GLN 83 85.638 -10.910 -6.617 689 1HE2 GLN 83 HE21 GLN 83 83.979 -11.440 -8.095 690 2HE2 GLN 83 HE22 GLN 83 83.521 -10.421 -9.371 691 H ILE 84 HN ILE 84 86.017 -7.921 -4.147 692 HA ILE 84 HA ILE 84 87.582 -5.563 -3.998 693 HB ILE 84 HB ILE 84 85.661 -6.598 -1.886 694 1HG1 ILE 84 HG12 ILE 84 85.159 -5.026 -4.434 695 2HG1 ILE 84 HG11 ILE 84 84.597 -6.660 -4.084 696 1HG2 ILE 84 HG21 ILE 84 87.112 -4.586 -1.338 697 2HG2 ILE 84 HG22 ILE 84 85.378 -4.281 -1.287 698 3HG2 ILE 84 HG23 ILE 84 86.326 -3.748 -2.675 699 1HD1 ILE 84 HD11 ILE 84 83.422 -5.640 -2.041 700 2HD1 ILE 84 HD12 ILE 84 82.732 -5.267 -3.620 701 3HD1 ILE 84 HD13 ILE 84 83.731 -4.074 -2.790 702 H ALA 85 HN ALA 85 87.675 -8.555 -2.204 703 HA ALA 85 HA ALA 85 89.549 -7.523 -0.183 704 1HB ALA 85 HB1 ALA 85 89.408 -9.670 0.800 705 2HB ALA 85 HB2 ALA 85 88.935 -10.431 -0.721 706 3HB ALA 85 HB3 ALA 85 87.797 -9.395 0.139 707 H GLN 86 HN GLN 86 89.623 -9.235 -3.240 708 HA GLN 86 HA GLN 86 92.435 -9.994 -2.990 709 1HB GLN 86 HB2 GLN 86 90.647 -11.164 -4.416 710 2HB GLN 86 HB1 GLN 86 90.845 -9.833 -5.543 711 1HG GLN 86 HG2 GLN 86 93.344 -10.348 -5.472 712 2HG GLN 86 HG1 GLN 86 92.902 -11.850 -4.678 713 1HE2 GLN 86 HE21 GLN 86 90.298 -11.735 -6.365 714 2HE2 GLN 86 HE22 GLN 86 90.787 -12.346 -7.867 715 H LEU 87 HN LEU 87 90.535 -7.448 -4.473 716 HA LEU 87 HA LEU 87 92.745 -6.184 -5.824 717 1HB LEU 87 HB2 LEU 87 90.426 -5.738 -6.510 718 2HB LEU 87 HB1 LEU 87 90.062 -5.091 -4.913 719 HG LEU 87 HG LEU 87 91.644 -3.261 -5.250 720 1HD1 LEU 87 HD11 LEU 87 93.393 -4.075 -6.586 721 2HD1 LEU 87 HD12 LEU 87 92.514 -3.081 -7.745 722 3HD1 LEU 87 HD13 LEU 87 92.298 -4.830 -7.744 723 1HD2 LEU 87 HD21 LEU 87 89.657 -3.743 -7.483 724 2HD2 LEU 87 HD22 LEU 87 90.498 -2.206 -7.277 725 3HD2 LEU 87 HD23 LEU 87 89.420 -2.798 -6.012 726 H ILE 88 HN ILE 88 91.116 -5.803 -2.740 727 HA ILE 88 HA ILE 88 92.691 -3.582 -1.799 728 HB ILE 88 HB ILE 88 90.955 -5.680 -0.494 729 1HG1 ILE 88 HG12 ILE 88 90.124 -3.560 -1.831 730 2HG1 ILE 88 HG11 ILE 88 89.340 -3.998 -0.319 731 1HG2 ILE 88 HG21 ILE 88 91.206 -4.257 1.627 732 2HG2 ILE 88 HG22 ILE 88 92.648 -3.580 0.871 733 3HG2 ILE 88 HG23 ILE 88 92.562 -5.308 1.217 734 1HD1 ILE 88 HD11 ILE 88 91.628 -2.019 -0.446 735 2HD1 ILE 88 HD12 ILE 88 90.522 -2.308 0.895 736 3HD1 ILE 88 HD13 ILE 88 89.938 -1.539 -0.574 737 H ALA 89 HN ALA 89 92.794 -7.086 -1.174 738 HA ALA 89 HA ALA 89 95.166 -7.073 0.415 739 1HB ALA 89 HB1 ALA 89 94.052 -9.232 -1.402 740 2HB ALA 89 HB2 ALA 89 93.702 -9.032 0.315 741 3HB ALA 89 HB3 ALA 89 95.326 -9.481 -0.208 742 H GLY 90 HN GLY 90 94.647 -6.567 -2.931 743 1HA GLY 90 HA2 GLY 90 97.378 -7.345 -3.728 744 2HA GLY 90 HA1 GLY 90 96.134 -6.689 -4.788 745 H TYR 91 HN TYR 91 95.618 -4.398 -2.888 746 HA TYR 91 HA TYR 91 97.741 -2.671 -3.951 747 1HB TYR 91 HB2 TYR 91 95.191 -2.214 -2.413 748 2HB TYR 91 HB1 TYR 91 96.381 -0.924 -2.510 749 HD1 TYR 91 HD1 TYR 91 93.467 -2.015 -3.963 750 HD2 TYR 91 HD2 TYR 91 97.418 -0.752 -5.102 751 HE1 TYR 91 HE1 TYR 91 92.621 -1.359 -6.195 752 HE2 TYR 91 HE2 TYR 91 96.569 -0.123 -7.338 753 HH TYR 91 HH TYR 91 93.593 -1.092 -8.523 754 H ILE 92 HN ILE 92 97.171 -4.424 -1.069 755 HA ILE 92 HA ILE 92 98.725 -2.648 0.659 756 HB ILE 92 HB ILE 92 97.721 -5.477 1.048 757 1HG1 ILE 92 HG12 ILE 92 96.726 -2.837 2.168 758 2HG1 ILE 92 HG11 ILE 92 96.019 -3.639 0.764 759 1HG2 ILE 92 HG21 ILE 92 99.131 -3.530 2.887 760 2HG2 ILE 92 HG22 ILE 92 99.567 -5.202 2.535 761 3HG2 ILE 92 HG23 ILE 92 98.139 -4.850 3.506 762 1HD1 ILE 92 HD11 ILE 92 95.676 -5.676 2.221 763 2HD1 ILE 92 HD12 ILE 92 94.709 -4.277 2.682 764 3HD1 ILE 92 HD13 ILE 92 96.157 -4.692 3.601 765 H ASP 93 HN ASP 93 99.352 -5.440 -1.357 766 HA ASP 93 HA ASP 93 102.003 -5.915 -0.179 767 1HB ASP 93 HB2 ASP 93 100.487 -7.094 -2.513 768 2HB ASP 93 HB1 ASP 93 102.166 -7.514 -2.180 769 H ILE 94 HN ILE 94 100.628 -3.962 -2.660 770 HA ILE 94 HA ILE 94 103.137 -3.687 -4.168 771 HB ILE 94 HB ILE 94 100.495 -2.232 -4.411 772 1HG1 ILE 94 HG12 ILE 94 101.680 -4.384 -6.181 773 2HG1 ILE 94 HG11 ILE 94 100.573 -4.746 -4.855 774 1HG2 ILE 94 HG21 ILE 94 103.035 -2.220 -6.054 775 2HG2 ILE 94 HG22 ILE 94 102.170 -0.837 -5.381 776 3HG2 ILE 94 HG23 ILE 94 101.479 -1.737 -6.732 777 1HD1 ILE 94 HD11 ILE 94 99.499 -4.471 -7.155 778 2HD1 ILE 94 HD12 ILE 94 99.906 -2.759 -7.036 779 3HD1 ILE 94 HD13 ILE 94 98.809 -3.489 -5.864 780 H ILE 95 HN ILE 95 101.413 -1.982 -1.654 781 HA ILE 95 HA ILE 95 103.045 0.454 -1.950 782 HB ILE 95 HB ILE 95 101.887 1.135 0.168 783 1HG1 ILE 95 HG12 ILE 95 100.585 -1.585 -0.186 784 2HG1 ILE 95 HG11 ILE 95 101.558 -1.049 1.181 785 1HG2 ILE 95 HG21 ILE 95 99.974 0.106 -1.938 786 2HG2 ILE 95 HG22 ILE 95 100.983 1.532 -2.162 787 3HG2 ILE 95 HG23 ILE 95 99.761 1.509 -0.892 788 1HD1 ILE 95 HD11 ILE 95 98.788 -0.158 0.390 789 2HD1 ILE 95 HD12 ILE 95 99.799 0.841 1.433 790 3HD1 ILE 95 HD13 ILE 95 99.341 -0.784 1.943 791 H LEU 96 HN LEU 96 102.913 -2.400 0.072 792 HA LEU 96 HA LEU 96 104.894 -1.468 1.969 793 1HB LEU 96 HB2 LEU 96 103.393 -3.978 1.403 794 2HB LEU 96 HB1 LEU 96 104.896 -4.168 2.307 795 HG LEU 96 HG LEU 96 102.903 -2.056 3.146 796 1HD1 LEU 96 HD11 LEU 96 102.034 -3.850 4.766 797 2HD1 LEU 96 HD12 LEU 96 102.766 -5.024 3.674 798 3HD1 LEU 96 HD13 LEU 96 101.485 -3.962 3.094 799 1HD2 LEU 96 HD21 LEU 96 104.924 -3.779 4.625 800 2HD2 LEU 96 HD22 LEU 96 103.901 -2.551 5.371 801 3HD2 LEU 96 HD23 LEU 96 105.132 -2.080 4.201 802 H LYS 97 HN LYS 97 105.032 -3.371 -1.016 803 HA LYS 97 HA LYS 97 107.707 -4.307 -0.685 804 1HB LYS 97 HB2 LYS 97 107.706 -4.788 -3.035 805 2HB LYS 97 HB1 LYS 97 106.075 -5.092 -2.446 806 1HG LYS 97 HG2 LYS 97 105.455 -3.782 -4.227 807 2HG LYS 97 HG1 LYS 97 105.841 -2.460 -3.141 808 1HD LYS 97 HD2 LYS 97 107.071 -1.875 -5.039 809 2HD LYS 97 HD1 LYS 97 108.275 -2.755 -4.107 810 1HE LYS 97 HE2 LYS 97 107.597 -4.841 -5.374 811 2HE LYS 97 HE1 LYS 97 106.627 -3.802 -6.417 812 1HZ LYS 97 HZ1 LYS 97 109.398 -3.016 -5.967 813 2HZ LYS 97 HZ2 LYS 97 108.446 -2.892 -7.369 814 3HZ LYS 97 HZ3 LYS 97 109.142 -4.382 -6.939 815 H LYS 98 HN LYS 98 106.426 -1.203 -1.745 816 HA LYS 98 HA LYS 98 108.830 -0.165 -2.885 817 1HB LYS 98 HB2 LYS 98 106.667 1.335 -1.380 818 2HB LYS 98 HB1 LYS 98 107.822 2.030 -2.515 819 1HG LYS 98 HG2 LYS 98 106.884 0.771 -4.353 820 2HG LYS 98 HG1 LYS 98 105.858 -0.147 -3.260 821 1HD LYS 98 HD2 LYS 98 104.390 1.470 -4.135 822 2HD LYS 98 HD1 LYS 98 104.862 2.150 -2.580 823 1HE LYS 98 HE2 LYS 98 104.958 3.832 -4.413 824 2HE LYS 98 HE1 LYS 98 106.537 3.567 -3.678 825 1HZ LYS 98 HZ1 LYS 98 105.647 2.089 -6.082 826 2HZ LYS 98 HZ2 LYS 98 107.225 2.255 -5.474 827 3HZ LYS 98 HZ3 LYS 98 106.442 3.584 -6.187 828 H LYS 99 HN LYS 99 107.656 -0.376 0.438 829 HA LYS 99 HA LYS 99 109.891 1.178 1.497 830 1HB LYS 99 HB2 LYS 99 107.881 1.404 2.722 831 2HB LYS 99 HB1 LYS 99 107.582 -0.329 2.704 832 1HG LYS 99 HG2 LYS 99 109.301 -0.756 4.279 833 2HG LYS 99 HG1 LYS 99 109.988 0.855 4.096 834 1HD LYS 99 HD2 LYS 99 107.178 0.394 5.131 835 2HD LYS 99 HD1 LYS 99 108.574 0.442 6.204 836 1HE LYS 99 HE2 LYS 99 109.066 2.741 4.988 837 2HE LYS 99 HE1 LYS 99 107.350 2.665 4.591 838 1HZ LYS 99 HZ1 LYS 99 106.854 3.274 6.639 839 2HZ LYS 99 HZ2 LYS 99 108.508 3.442 6.990 840 3HZ LYS 99 HZ3 LYS 99 107.719 1.968 7.290 841 H LYS 100 HN LYS 100 109.499 -1.961 0.386 842 HA LYS 100 HA LYS 100 110.818 -3.888 0.569 843 1HB LYS 100 HB2 LYS 100 112.608 -2.062 0.239 844 2HB LYS 100 HB1 LYS 100 112.866 -2.168 1.980 845 1HG LYS 100 HG2 LYS 100 113.290 -4.601 1.756 846 2HG LYS 100 HG1 LYS 100 113.090 -4.461 0.009 847 1HD LYS 100 HD2 LYS 100 114.936 -2.687 0.088 848 2HD LYS 100 HD1 LYS 100 115.249 -3.236 1.736 849 1HE LYS 100 HE2 LYS 100 115.654 -5.513 0.930 850 2HE LYS 100 HE1 LYS 100 115.269 -5.019 -0.718 851 1HZ LYS 100 HZ1 LYS 100 117.730 -4.884 0.569 852 2HZ LYS 100 HZ2 LYS 100 117.209 -3.282 0.347 853 3HZ LYS 100 HZ3 LYS 100 117.339 -4.329 -0.985 854 1H SER 1 HT1 SER 1 87.724 -18.725 10.151 855 2H SER 1 HT2 SER 1 88.966 -17.680 9.649 856 3H SER 1 HT3 SER 1 87.377 -17.445 9.095 857 HA SER 1 HA SER 1 86.658 -16.980 11.382 858 1HB SER 1 HB2 SER 1 88.594 -16.454 12.971 859 2HB SER 1 HB1 SER 1 88.294 -18.161 12.661 860 HG SER 1 HG SER 1 90.539 -16.950 12.363 861 H TRP 2 HN TRP 2 89.789 -15.790 10.108 862 HA TRP 2 HA TRP 2 88.553 -13.287 9.250 863 1HB TRP 2 HB2 TRP 2 90.209 -13.455 11.762 864 2HB TRP 2 HB1 TRP 2 90.326 -12.010 10.764 865 HD1 TRP 2 HD1 TRP 2 88.070 -13.791 13.181 866 HE1 TRP 2 HE1 TRP 2 85.992 -12.334 13.647 867 HE3 TRP 2 HE3 TRP 2 88.678 -10.224 9.588 868 HZ2 TRP 2 HZ2 TRP 2 84.760 -9.957 12.629 869 HZ3 TRP 2 HZ3 TRP 2 87.049 -8.374 9.360 870 HH2 TRP 2 HH2 TRP 2 85.094 -8.235 10.873 871 H VAL 3 HN VAL 3 90.627 -11.716 8.787 872 HA VAL 3 HA VAL 3 92.961 -13.201 7.827 873 HB VAL 3 HB VAL 3 91.573 -13.568 5.919 874 1HG1 VAL 3 HG11 VAL 3 90.832 -10.651 6.184 875 2HG1 VAL 3 HG12 VAL 3 89.780 -12.034 6.503 876 3HG1 VAL 3 HG13 VAL 3 90.323 -11.697 4.858 877 1HG2 VAL 3 HG21 VAL 3 92.985 -11.010 5.150 878 2HG2 VAL 3 HG22 VAL 3 92.807 -12.496 4.217 879 3HG2 VAL 3 HG23 VAL 3 93.908 -12.447 5.597 880 1HN PTR 4 HN PTR 4 94.739 -11.842 7.763 881 HA PTR 4 HA PTR 4 94.243 -8.921 8.288 882 1HB PTR 4 HB1 PTR 4 96.495 -9.082 9.510 883 2HB PTR 4 HB2 PTR 4 96.295 -10.830 9.425 884 HD1 PTR 4 HD1 PTR 4 93.872 -11.695 10.176 885 HD2 PTR 4 HD2 PTR 4 95.652 -7.976 11.394 886 HE1 PTR 4 HE1 PTR 4 92.383 -11.628 12.153 887 HE2 PTR 4 HE2 PTR 4 94.160 -7.913 13.372 888 H SER 5 HN SER 5 96.876 -8.071 8.074 889 HA SER 5 HA SER 5 97.795 -8.920 5.372 890 1HB SER 5 HB2 SER 5 97.138 -6.957 4.410 891 2HB SER 5 HB1 SER 5 96.365 -6.507 5.924 892 HG SER 5 HG SER 5 99.120 -6.146 5.326 893 HA PRO 6 HA PRO 6 101.839 -8.552 7.062 894 1HB PRO 6 HB2 PRO 6 103.054 -6.884 5.057 895 2HB PRO 6 HB1 PRO 6 103.105 -8.648 5.155 896 1HG PRO 6 HG2 PRO 6 101.549 -6.979 3.314 897 2HG PRO 6 HG1 PRO 6 101.786 -8.732 3.280 898 1HD PRO 6 HD2 PRO 6 99.399 -7.360 4.025 899 2HD PRO 6 HD1 PRO 6 99.727 -9.095 4.206 900 H LEU 7 HN LEU 7 100.028 -5.696 6.278 901 HA LEU 7 HA LEU 7 101.640 -3.602 7.151 902 1HB LEU 7 HB2 LEU 7 98.693 -4.034 7.715 903 2HB LEU 7 HB1 LEU 7 99.528 -2.501 7.930 904 HG LEU 7 HG LEU 7 99.660 -3.907 5.261 905 1HD1 LEU 7 HD11 LEU 7 97.242 -3.741 5.922 906 2HD1 LEU 7 HD12 LEU 7 97.649 -2.747 4.526 907 3HD1 LEU 7 HD13 LEU 7 97.456 -2.002 6.111 908 1HD2 LEU 7 HD21 LEU 7 99.904 -1.595 4.444 909 2HD2 LEU 7 HD22 LEU 7 101.095 -1.915 5.699 910 3HD2 LEU 7 HD23 LEU 7 99.651 -0.976 6.074 911 H HIS 8 HN HIS 8 100.671 -6.313 8.954 912 HA HIS 8 HA HIS 8 100.746 -6.814 11.247 913 1HB HIS 8 HB2 HIS 8 102.996 -4.791 11.172 914 2HB HIS 8 HB1 HIS 8 102.805 -6.127 12.304 915 HD1 HIS 8 HD1 HIS 8 105.090 -5.550 9.954 916 HD2 HIS 8 HD2 HIS 8 102.155 -8.508 10.065 917 HE1 HIS 8 HE1 HIS 8 105.893 -7.412 8.437 Start of MODEL 16 1 1H LEU 1 HT1 LEU 1 86.934 15.732 -10.253 2 2H LEU 1 HT2 LEU 1 85.430 15.025 -10.604 3 3H LEU 1 HT3 LEU 1 86.365 15.701 -11.850 4 HA LEU 1 HA LEU 1 86.322 13.137 -11.458 5 1HB LEU 1 HB2 LEU 1 88.885 13.229 -12.143 6 2HB LEU 1 HB1 LEU 1 87.653 13.848 -13.236 7 HG LEU 1 HG LEU 1 88.034 16.137 -12.378 8 1HD1 LEU 1 HD11 LEU 1 90.065 14.709 -10.648 9 2HD1 LEU 1 HD12 LEU 1 88.751 15.765 -10.128 10 3HD1 LEU 1 HD13 LEU 1 90.145 16.441 -10.967 11 1HD2 LEU 1 HD21 LEU 1 90.495 14.632 -13.308 12 2HD2 LEU 1 HD22 LEU 1 90.371 16.391 -13.271 13 3HD2 LEU 1 HD23 LEU 1 89.308 15.454 -14.321 14 H LYS 2 HN LYS 2 86.119 13.957 -8.807 15 HA LYS 2 HA LYS 2 88.548 13.538 -7.332 16 1HB LYS 2 HB2 LYS 2 85.619 13.491 -6.609 17 2HB LYS 2 HB1 LYS 2 86.866 13.112 -5.421 18 1HG LYS 2 HG2 LYS 2 86.203 15.513 -5.391 19 2HG LYS 2 HG1 LYS 2 87.909 15.282 -5.754 20 1HD LYS 2 HD2 LYS 2 87.613 15.768 -8.046 21 2HD LYS 2 HD1 LYS 2 85.869 15.519 -7.962 22 1HE LYS 2 HE2 LYS 2 85.569 17.540 -6.682 23 2HE LYS 2 HE1 LYS 2 87.310 17.740 -6.491 24 1HZ LYS 2 HZ1 LYS 2 87.128 19.026 -8.293 25 2HZ LYS 2 HZ2 LYS 2 85.614 18.391 -8.731 26 3HZ LYS 2 HZ3 LYS 2 87.039 17.573 -9.162 27 H THR 3 HN THR 3 87.295 11.448 -9.358 28 HA THR 3 HA THR 3 88.075 9.099 -7.708 29 HB THR 3 HB THR 3 85.592 8.993 -9.429 30 HG1 THR 3 HG1 THR 3 84.661 10.147 -7.967 31 1HG2 THR 3 HG21 THR 3 85.108 7.042 -8.011 32 2HG2 THR 3 HG22 THR 3 86.584 7.339 -7.092 33 3HG2 THR 3 HG23 THR 3 86.681 6.873 -8.790 34 H TYR 4 HN TYR 4 89.676 10.233 -9.594 35 HA TYR 4 HA TYR 4 89.273 8.787 -12.152 36 1HB TYR 4 HB2 TYR 4 90.117 11.233 -11.898 37 2HB TYR 4 HB1 TYR 4 91.656 10.505 -11.449 38 HD1 TYR 4 HD1 TYR 4 89.563 11.490 -14.164 39 HD2 TYR 4 HD2 TYR 4 92.614 8.691 -13.045 40 HE1 TYR 4 HE1 TYR 4 90.079 11.101 -16.559 41 HE2 TYR 4 HE2 TYR 4 93.136 8.300 -15.437 42 HH TYR 4 HH TYR 4 92.478 8.670 -17.543 43 H GLY 5 HN GLY 5 90.234 6.845 -12.520 44 1HA GLY 5 HA2 GLY 5 91.882 5.153 -12.424 45 2HA GLY 5 HA1 GLY 5 92.851 6.203 -11.391 46 H VAL 6 HN VAL 6 90.153 6.433 -9.775 47 HA VAL 6 HA VAL 6 90.853 4.242 -7.926 48 HB VAL 6 HB VAL 6 88.655 6.313 -7.653 49 1HG1 VAL 6 HG11 VAL 6 88.603 4.300 -6.156 50 2HG1 VAL 6 HG12 VAL 6 88.832 5.815 -5.284 51 3HG1 VAL 6 HG13 VAL 6 90.206 4.747 -5.571 52 1HG2 VAL 6 HG21 VAL 6 90.387 7.504 -6.225 53 2HG2 VAL 6 HG22 VAL 6 90.712 7.529 -7.958 54 3HG2 VAL 6 HG23 VAL 6 91.592 6.415 -6.912 55 H SER 7 HN SER 7 89.702 2.366 -7.758 56 HA SER 7 HA SER 7 87.513 1.901 -9.655 57 1HB SER 7 HB2 SER 7 88.472 -0.021 -7.542 58 2HB SER 7 HB1 SER 7 87.723 -0.383 -9.091 59 HG SER 7 HG SER 7 89.585 -0.080 -10.071 60 H PHE 8 HN PHE 8 85.537 2.580 -9.105 61 HA PHE 8 HA PHE 8 84.688 2.733 -6.266 62 1HB PHE 8 HB2 PHE 8 82.592 3.697 -7.364 63 2HB PHE 8 HB1 PHE 8 84.071 4.629 -7.579 64 HD1 PHE 8 HD1 PHE 8 85.251 4.641 -9.741 65 HD2 PHE 8 HD2 PHE 8 81.562 2.506 -9.213 66 HE1 PHE 8 HE1 PHE 8 85.011 4.447 -12.202 67 HE2 PHE 8 HE2 PHE 8 81.322 2.311 -11.673 68 HZ PHE 8 HZ PHE 8 83.047 3.281 -13.168 69 H PHE 9 HN PHE 9 83.679 0.981 -5.365 70 HA PHE 9 HA PHE 9 82.363 -1.026 -7.159 71 1HB PHE 9 HB2 PHE 9 83.524 -1.141 -4.375 72 2HB PHE 9 HB1 PHE 9 82.350 -2.349 -4.890 73 HD1 PHE 9 HD1 PHE 9 85.625 -0.795 -5.797 74 HD2 PHE 9 HD2 PHE 9 83.002 -4.168 -6.259 75 HE1 PHE 9 HE1 PHE 9 87.423 -2.036 -6.970 76 HE2 PHE 9 HE2 PHE 9 84.803 -5.408 -7.432 77 HZ PHE 9 HZ PHE 9 87.012 -4.340 -7.789 78 H LEU 10 HN LEU 10 80.150 -1.265 -7.077 79 HA LEU 10 HA LEU 10 78.621 0.619 -5.423 80 1HB LEU 10 HB2 LEU 10 77.901 0.171 -7.728 81 2HB LEU 10 HB1 LEU 10 77.708 -1.535 -7.351 82 HG LEU 10 HG LEU 10 76.188 -0.021 -5.386 83 1HD1 LEU 10 HD11 LEU 10 76.251 1.746 -7.199 84 2HD1 LEU 10 HD12 LEU 10 74.639 1.204 -6.733 85 3HD1 LEU 10 HD13 LEU 10 75.371 0.616 -8.228 86 1HD2 LEU 10 HD21 LEU 10 75.805 -2.374 -6.264 87 2HD2 LEU 10 HD22 LEU 10 75.141 -1.644 -7.725 88 3HD2 LEU 10 HD23 LEU 10 74.357 -1.371 -6.169 89 H VAL 11 HN VAL 11 78.472 0.111 -3.348 90 HA VAL 11 HA VAL 11 77.659 -2.678 -2.591 91 HB VAL 11 HB VAL 11 78.807 -2.359 -0.494 92 1HG1 VAL 11 HG11 VAL 11 80.735 -1.193 -2.508 93 2HG1 VAL 11 HG12 VAL 11 80.140 -2.842 -2.688 94 3HG1 VAL 11 HG13 VAL 11 81.045 -2.385 -1.246 95 1HG2 VAL 11 HG21 VAL 11 78.395 -0.081 0.050 96 2HG2 VAL 11 HG22 VAL 11 79.096 0.491 -1.463 97 3HG2 VAL 11 HG23 VAL 11 80.139 -0.159 -0.201 98 H LYS 12 HN LYS 12 76.006 -2.773 -0.936 99 HA LYS 12 HA LYS 12 74.402 -0.239 -0.753 100 1HB LYS 12 HB2 LYS 12 73.696 -3.112 -1.080 101 2HB LYS 12 HB1 LYS 12 72.679 -2.226 0.058 102 1HG LYS 12 HG2 LYS 12 72.043 -0.630 -1.599 103 2HG LYS 12 HG1 LYS 12 73.283 -1.197 -2.729 104 1HD LYS 12 HD2 LYS 12 72.124 -3.412 -2.799 105 2HD LYS 12 HD1 LYS 12 70.851 -2.736 -1.782 106 1HE LYS 12 HE2 LYS 12 70.193 -2.620 -4.147 107 2HE LYS 12 HE1 LYS 12 70.420 -0.997 -3.494 108 1HZ LYS 12 HZ1 LYS 12 72.891 -1.832 -4.425 109 2HZ LYS 12 HZ2 LYS 12 71.882 -0.642 -5.097 110 3HZ LYS 12 HZ3 LYS 12 71.775 -2.251 -5.631 111 H GLU 13 HN GLU 13 73.384 0.206 1.272 112 HA GLU 13 HA GLU 13 74.730 -1.058 3.642 113 1HB GLU 13 HB2 GLU 13 74.008 1.869 3.361 114 2HB GLU 13 HB1 GLU 13 74.872 1.114 4.696 115 1HG GLU 13 HG2 GLU 13 76.684 0.472 3.117 116 2HG GLU 13 HG1 GLU 13 75.837 1.329 1.831 117 H LYS 14 HN LYS 14 73.428 -0.847 5.617 118 HA LYS 14 HA LYS 14 70.497 -0.858 5.009 119 1HB LYS 14 HB2 LYS 14 71.643 -2.001 7.552 120 2HB LYS 14 HB1 LYS 14 70.199 -2.476 6.669 121 1HG LYS 14 HG2 LYS 14 73.016 -2.931 5.632 122 2HG LYS 14 HG1 LYS 14 72.120 -4.121 6.557 123 1HD LYS 14 HD2 LYS 14 70.882 -2.908 4.084 124 2HD LYS 14 HD1 LYS 14 72.043 -4.221 3.938 125 1HE LYS 14 HE2 LYS 14 69.431 -4.296 5.480 126 2HE LYS 14 HE1 LYS 14 69.812 -5.176 4.007 127 1HZ LYS 14 HZ1 LYS 14 71.739 -6.122 5.387 128 2HZ LYS 14 HZ2 LYS 14 70.174 -6.731 5.643 129 3HZ LYS 14 HZ3 LYS 14 70.840 -5.607 6.729 130 H MET 15 HN MET 15 69.696 1.097 5.485 131 HA MET 15 HA MET 15 70.834 2.858 7.457 132 1HB MET 15 HB2 MET 15 68.366 2.822 5.757 133 2HB MET 15 HB1 MET 15 68.414 3.939 7.106 134 1HG MET 15 HG2 MET 15 70.661 3.771 5.106 135 2HG MET 15 HG1 MET 15 69.271 4.834 4.871 136 1HE MET 15 HE1 MET 15 72.596 6.784 6.115 137 2HE MET 15 HE2 MET 15 71.496 6.620 4.749 138 3HE MET 15 HE3 MET 15 72.494 5.253 5.235 139 H LYS 16 HN LYS 16 69.953 3.432 9.489 140 HA LYS 16 HA LYS 16 69.595 2.197 11.609 141 1HB LYS 16 HB2 LYS 16 66.852 3.231 11.044 142 2HB LYS 16 HB1 LYS 16 67.871 3.464 12.455 143 1HG LYS 16 HG2 LYS 16 68.129 5.561 11.538 144 2HG LYS 16 HG1 LYS 16 69.416 4.750 10.662 145 1HD LYS 16 HD2 LYS 16 68.362 5.539 8.784 146 2HD LYS 16 HD1 LYS 16 67.234 4.206 9.031 147 1HE LYS 16 HE2 LYS 16 65.718 5.658 10.266 148 2HE LYS 16 HE1 LYS 16 66.878 6.986 10.205 149 1HZ LYS 16 HZ1 LYS 16 66.404 7.429 8.066 150 2HZ LYS 16 HZ2 LYS 16 64.927 6.679 8.440 151 3HZ LYS 16 HZ3 LYS 16 66.152 5.803 7.653 152 H GLY 17 HN GLY 17 66.534 1.767 9.835 153 1HA GLY 17 HA2 GLY 17 66.726 -1.161 10.225 154 2HA GLY 17 HA1 GLY 17 65.405 -0.341 11.058 155 H LYS 18 HN LYS 18 66.024 1.380 8.278 156 HA LYS 18 HA LYS 18 63.560 0.884 7.046 157 1HB LYS 18 HB2 LYS 18 65.907 1.301 5.208 158 2HB LYS 18 HB1 LYS 18 64.323 2.072 5.204 159 1HG LYS 18 HG2 LYS 18 66.528 2.577 7.190 160 2HG LYS 18 HG1 LYS 18 66.029 3.664 5.910 161 1HD LYS 18 HD2 LYS 18 64.282 2.774 8.232 162 2HD LYS 18 HD1 LYS 18 65.048 4.342 8.068 163 1HE LYS 18 HE2 LYS 18 63.786 4.417 5.758 164 2HE LYS 18 HE1 LYS 18 62.750 3.204 6.513 165 1HZ LYS 18 HZ1 LYS 18 62.769 4.889 8.471 166 2HZ LYS 18 HZ2 LYS 18 61.733 5.135 7.147 167 3HZ LYS 18 HZ3 LYS 18 63.186 6.008 7.267 168 H ASN 19 HN ASN 19 62.694 -0.884 6.081 169 HA ASN 19 HA ASN 19 64.147 -3.330 5.755 170 1HB ASN 19 HB2 ASN 19 61.534 -2.280 4.688 171 2HB ASN 19 HB1 ASN 19 62.155 -3.833 4.143 172 1HD2 ASN 19 HD21 ASN 19 61.840 -2.135 7.325 173 2HD2 ASN 19 HD22 ASN 19 61.226 -3.488 8.145 174 H LYS 20 HN LYS 20 64.294 -0.433 4.181 175 HA LYS 20 HA LYS 20 64.855 -1.413 1.485 176 1HB LYS 20 HB2 LYS 20 64.143 1.062 2.678 177 2HB LYS 20 HB1 LYS 20 65.724 1.323 1.969 178 1HG LYS 20 HG2 LYS 20 64.246 1.846 0.222 179 2HG LYS 20 HG1 LYS 20 64.740 0.203 -0.145 180 1HD LYS 20 HD2 LYS 20 62.427 0.005 -0.374 181 2HD LYS 20 HD1 LYS 20 62.624 -0.447 1.319 182 1HE LYS 20 HE2 LYS 20 62.042 1.815 2.033 183 2HE LYS 20 HE1 LYS 20 61.977 2.361 0.357 184 1HZ LYS 20 HZ1 LYS 20 60.348 0.073 0.735 185 2HZ LYS 20 HZ2 LYS 20 59.918 1.616 0.169 186 3HZ LYS 20 HZ3 LYS 20 59.915 1.288 1.836 187 H LEU 21 HN LEU 21 66.964 -0.128 0.622 188 HA LEU 21 HA LEU 21 69.288 -0.667 2.414 189 1HB LEU 21 HB2 LEU 21 69.370 -1.430 -0.523 190 2HB LEU 21 HB1 LEU 21 70.472 -1.907 0.762 191 HG LEU 21 HG LEU 21 67.564 -2.752 0.769 192 1HD1 LEU 21 HD11 LEU 21 68.692 -3.518 -1.329 193 2HD1 LEU 21 HD12 LEU 21 68.234 -4.844 -0.261 194 3HD1 LEU 21 HD13 LEU 21 69.913 -4.312 -0.333 195 1HD2 LEU 21 HD21 LEU 21 68.863 -2.921 2.883 196 2HD2 LEU 21 HD22 LEU 21 70.064 -3.900 2.046 197 3HD2 LEU 21 HD23 LEU 21 68.422 -4.507 2.254 198 H VAL 22 HN VAL 22 71.202 0.601 1.690 199 HA VAL 22 HA VAL 22 70.386 2.957 -0.003 200 HB VAL 22 HB VAL 22 72.045 2.729 2.493 201 1HG1 VAL 22 HG11 VAL 22 72.235 4.869 0.361 202 2HG1 VAL 22 HG12 VAL 22 73.550 3.963 1.111 203 3HG1 VAL 22 HG13 VAL 22 72.675 5.179 2.041 204 1HG2 VAL 22 HG21 VAL 22 70.687 4.811 3.026 205 2HG2 VAL 22 HG22 VAL 22 69.759 3.320 2.877 206 3HG2 VAL 22 HG23 VAL 22 69.765 4.493 1.560 207 HA PRO 23 HA PRO 23 73.708 1.103 -2.550 208 1HB PRO 23 HB2 PRO 23 73.314 3.469 -4.271 209 2HB PRO 23 HB1 PRO 23 73.153 1.777 -4.690 210 1HG PRO 23 HG2 PRO 23 71.019 3.542 -4.392 211 2HG PRO 23 HG1 PRO 23 70.883 1.781 -4.263 212 1HD PRO 23 HD2 PRO 23 70.783 3.811 -2.109 213 2HD PRO 23 HD1 PRO 23 70.212 2.124 -2.096 214 H ARG 24 HN ARG 24 75.913 1.705 -2.805 215 HA ARG 24 HA ARG 24 76.773 4.447 -2.131 216 1HB ARG 24 HB2 ARG 24 76.463 3.194 0.073 217 2HB ARG 24 HB1 ARG 24 77.752 2.120 -0.454 218 1HG ARG 24 HG2 ARG 24 78.983 3.685 0.751 219 2HG ARG 24 HG1 ARG 24 79.071 4.389 -0.863 220 1HD ARG 24 HD2 ARG 24 78.420 6.225 0.439 221 2HD ARG 24 HD1 ARG 24 76.864 5.630 -0.139 222 HE ARG 24 HE ARG 24 77.234 4.275 2.244 223 1HH1 ARG 24 HH21 ARG 24 77.310 7.559 1.197 224 2HH1 ARG 24 HH22 ARG 24 76.771 8.195 2.715 225 1HH2 ARG 24 HH11 ARG 24 76.532 5.086 4.233 226 2HH2 ARG 24 HH12 ARG 24 76.331 6.795 4.435 227 H LEU 25 HN LEU 25 78.800 4.875 -3.032 228 HA LEU 25 HA LEU 25 79.990 2.669 -4.656 229 1HB LEU 25 HB2 LEU 25 80.231 5.682 -4.766 230 2HB LEU 25 HB1 LEU 25 81.212 4.613 -5.753 231 HG LEU 25 HG LEU 25 78.184 4.571 -5.717 232 1HD1 LEU 25 HD11 LEU 25 78.243 5.890 -7.761 233 2HD1 LEU 25 HD12 LEU 25 80.006 5.912 -7.736 234 3HD1 LEU 25 HD13 LEU 25 79.097 6.767 -6.493 235 1HD2 LEU 25 HD21 LEU 25 78.761 3.554 -8.094 236 2HD2 LEU 25 HD22 LEU 25 78.833 2.541 -6.662 237 3HD2 LEU 25 HD23 LEU 25 80.315 3.197 -7.343 238 H LEU 26 HN LEU 26 82.123 2.030 -4.260 239 HA LEU 26 HA LEU 26 83.507 3.302 -1.917 240 1HB LEU 26 HB2 LEU 26 82.628 1.198 -1.185 241 2HB LEU 26 HB1 LEU 26 83.156 0.389 -2.655 242 HG LEU 26 HG LEU 26 85.468 0.575 -2.026 243 1HD1 LEU 26 HD11 LEU 26 84.398 2.458 0.076 244 2HD1 LEU 26 HD12 LEU 26 85.692 2.725 -1.090 245 3HD1 LEU 26 HD13 LEU 26 85.957 1.662 0.288 246 1HD2 LEU 26 HD21 LEU 26 85.475 -0.650 0.122 247 2HD2 LEU 26 HD22 LEU 26 84.197 -1.241 -0.941 248 3HD2 LEU 26 HD23 LEU 26 83.802 -0.166 0.400 249 H GLY 27 HN GLY 27 85.159 4.379 -2.803 250 1HA GLY 27 HA2 GLY 27 86.607 3.400 -5.144 251 2HA GLY 27 HA1 GLY 27 86.878 4.928 -4.332 252 H ILE 28 HN ILE 28 88.459 2.267 -5.077 253 HA ILE 28 HA ILE 28 89.931 2.070 -2.466 254 HB ILE 28 HB ILE 28 89.979 0.078 -4.762 255 1HG1 ILE 28 HG12 ILE 28 87.711 0.091 -3.924 256 2HG1 ILE 28 HG11 ILE 28 88.518 -1.323 -3.253 257 1HG2 ILE 28 HG21 ILE 28 91.906 -0.201 -3.422 258 2HG2 ILE 28 HG22 ILE 28 90.773 -1.407 -2.815 259 3HG2 ILE 28 HG23 ILE 28 91.019 0.096 -1.929 260 1HD1 ILE 28 HD11 ILE 28 87.711 1.220 -1.884 261 2HD1 ILE 28 HD12 ILE 28 89.066 0.293 -1.246 262 3HD1 ILE 28 HD13 ILE 28 87.473 -0.445 -1.368 263 H THR 29 HN THR 29 91.761 3.301 -2.573 264 HA THR 29 HA THR 29 93.034 3.770 -5.222 265 HB THR 29 HB THR 29 93.944 5.007 -2.622 266 HG1 THR 29 HG1 THR 29 91.513 5.094 -3.308 267 1HG2 THR 29 HG21 THR 29 94.389 6.926 -4.172 268 2HG2 THR 29 HG22 THR 29 93.863 5.913 -5.515 269 3HG2 THR 29 HG23 THR 29 95.295 5.473 -4.586 270 H LYS 30 HN LYS 30 95.526 3.791 -5.127 271 HA LYS 30 HA LYS 30 96.396 1.166 -4.188 272 1HB LYS 30 HB2 LYS 30 98.655 2.135 -5.155 273 2HB LYS 30 HB1 LYS 30 97.348 1.703 -6.258 274 1HG LYS 30 HG2 LYS 30 96.664 3.946 -6.525 275 2HG LYS 30 HG1 LYS 30 97.559 4.485 -5.105 276 1HD LYS 30 HD2 LYS 30 99.678 4.090 -6.234 277 2HD LYS 30 HD1 LYS 30 98.844 3.404 -7.629 278 1HE LYS 30 HE2 LYS 30 97.972 5.481 -8.292 279 2HE LYS 30 HE1 LYS 30 98.191 6.194 -6.693 280 1HZ LYS 30 HZ1 LYS 30 99.851 6.643 -8.689 281 2HZ LYS 30 HZ2 LYS 30 100.586 5.247 -8.059 282 3HZ LYS 30 HZ3 LYS 30 100.364 6.612 -7.072 283 H GLU 31 HN GLU 31 95.988 4.002 -2.633 284 HA GLU 31 HA GLU 31 98.043 3.313 -0.605 285 1HB GLU 31 HB2 GLU 31 97.704 6.059 -1.834 286 2HB GLU 31 HB1 GLU 31 98.735 5.688 -0.454 287 1HG GLU 31 HG2 GLU 31 99.844 3.949 -1.983 288 2HG GLU 31 HG1 GLU 31 99.023 4.767 -3.303 289 H CYS 32 HN CYS 32 94.880 3.855 -1.243 290 HA CYS 32 HA CYS 32 94.229 4.231 1.533 291 1HB CYS 32 HB2 CYS 32 92.987 6.558 0.814 292 2HB CYS 32 HB1 CYS 32 94.583 6.511 1.544 293 HG CYS 32 HG CYS 32 94.413 7.863 -0.851 294 H VAL 33 HN VAL 33 91.898 4.371 1.900 295 HA VAL 33 HA VAL 33 90.261 3.388 -0.424 296 HB VAL 33 HB VAL 33 90.014 2.774 2.546 297 1HG1 VAL 33 HG11 VAL 33 88.239 2.160 0.184 298 2HG1 VAL 33 HG12 VAL 33 87.794 2.895 1.723 299 3HG1 VAL 33 HG13 VAL 33 88.202 1.181 1.650 300 1HG2 VAL 33 HG21 VAL 33 90.304 0.392 1.604 301 2HG2 VAL 33 HG22 VAL 33 91.740 1.414 1.647 302 3HG2 VAL 33 HG23 VAL 33 90.874 1.176 0.131 303 H MET 34 HN MET 34 88.162 4.427 -0.635 304 HA MET 34 HA MET 34 87.629 6.627 1.328 305 1HB MET 34 HB2 MET 34 86.995 8.002 -0.820 306 2HB MET 34 HB1 MET 34 88.682 7.886 -0.334 307 1HG MET 34 HG2 MET 34 87.532 5.834 -2.211 308 2HG MET 34 HG1 MET 34 88.054 7.399 -2.824 309 1HE MET 34 HE1 MET 34 90.670 7.739 -3.592 310 2HE MET 34 HE2 MET 34 91.666 7.737 -2.139 311 3HE MET 34 HE3 MET 34 90.082 8.507 -2.111 312 H ARG 35 HN ARG 35 85.505 7.339 1.458 313 HA ARG 35 HA ARG 35 83.529 5.296 0.540 314 1HB ARG 35 HB2 ARG 35 83.426 7.617 2.472 315 2HB ARG 35 HB1 ARG 35 81.947 6.869 1.898 316 1HG ARG 35 HG2 ARG 35 83.009 4.629 2.669 317 2HG ARG 35 HG1 ARG 35 84.143 5.638 3.568 318 1HD ARG 35 HD2 ARG 35 81.185 5.304 3.957 319 2HD ARG 35 HD1 ARG 35 82.466 5.345 5.163 320 HE ARG 35 HE ARG 35 82.474 7.900 4.061 321 1HH1 ARG 35 HH21 ARG 35 80.173 5.777 5.505 322 2HH1 ARG 35 HH22 ARG 35 79.217 7.054 6.179 323 1HH2 ARG 35 HH11 ARG 35 81.245 9.580 4.944 324 2HH2 ARG 35 HH12 ARG 35 79.824 9.208 5.861 325 H VAL 36 HN VAL 36 82.165 5.714 -1.135 326 HA VAL 36 HA VAL 36 81.994 8.519 -2.155 327 HB VAL 36 HB VAL 36 82.218 6.006 -3.831 328 1HG1 VAL 36 HG11 VAL 36 82.324 8.930 -4.635 329 2HG1 VAL 36 HG12 VAL 36 80.888 7.921 -4.797 330 3HG1 VAL 36 HG13 VAL 36 82.343 7.538 -5.717 331 1HG2 VAL 36 HG21 VAL 36 84.445 6.927 -4.454 332 2HG2 VAL 36 HG22 VAL 36 84.345 6.502 -2.745 333 3HG2 VAL 36 HG23 VAL 36 84.231 8.188 -3.241 334 H ASP 37 HN ASP 37 79.916 9.152 -2.079 335 HA ASP 37 HA ASP 37 77.769 7.300 -1.550 336 1HB ASP 37 HB2 ASP 37 77.862 9.789 -0.937 337 2HB ASP 37 HB1 ASP 37 77.461 10.115 -2.622 338 H GLU 38 HN GLU 38 76.123 6.616 -2.951 339 HA GLU 38 HA GLU 38 76.884 6.517 -5.810 340 1HB GLU 38 HB2 GLU 38 76.056 4.538 -4.355 341 2HB GLU 38 HB1 GLU 38 74.474 5.280 -4.506 342 1HG GLU 38 HG2 GLU 38 76.182 4.593 -6.903 343 2HG GLU 38 HG1 GLU 38 75.010 3.473 -6.207 344 H LYS 39 HN LYS 39 74.858 8.064 -3.619 345 HA LYS 39 HA LYS 39 72.774 8.941 -5.400 346 1HB LYS 39 HB2 LYS 39 72.521 8.775 -2.948 347 2HB LYS 39 HB1 LYS 39 73.725 10.040 -2.757 348 1HG LYS 39 HG2 LYS 39 72.300 11.622 -3.980 349 2HG LYS 39 HG1 LYS 39 71.094 10.358 -4.230 350 1HD LYS 39 HD2 LYS 39 70.736 10.168 -1.827 351 2HD LYS 39 HD1 LYS 39 72.024 11.331 -1.515 352 1HE LYS 39 HE2 LYS 39 69.625 12.029 -3.215 353 2HE LYS 39 HE1 LYS 39 69.621 12.240 -1.464 354 1HZ LYS 39 HZ1 LYS 39 70.373 14.176 -2.972 355 2HZ LYS 39 HZ2 LYS 39 71.838 13.322 -3.069 356 3HZ LYS 39 HZ3 LYS 39 71.252 13.839 -1.561 357 H THR 40 HN THR 40 75.539 10.590 -3.877 358 HA THR 40 HA THR 40 75.301 12.783 -5.881 359 HB THR 40 HB THR 40 76.904 13.970 -4.400 360 HG1 THR 40 HG1 THR 40 77.913 12.900 -2.920 361 1HG2 THR 40 HG21 THR 40 74.637 12.828 -2.767 362 2HG2 THR 40 HG22 THR 40 74.365 13.964 -4.089 363 3HG2 THR 40 HG23 THR 40 75.324 14.450 -2.691 364 H LYS 41 HN LYS 41 76.957 9.870 -5.587 365 HA LYS 41 HA LYS 41 78.961 9.089 -6.567 366 1HB LYS 41 HB2 LYS 41 78.251 11.357 -8.445 367 2HB LYS 41 HB1 LYS 41 79.451 10.114 -8.792 368 1HG LYS 41 HG2 LYS 41 77.839 8.411 -8.933 369 2HG LYS 41 HG1 LYS 41 76.646 9.327 -8.012 370 1HD LYS 41 HD2 LYS 41 76.146 9.210 -10.471 371 2HD LYS 41 HD1 LYS 41 76.298 10.853 -9.856 372 1HE LYS 41 HE2 LYS 41 78.721 9.470 -10.986 373 2HE LYS 41 HE1 LYS 41 77.538 10.188 -12.077 374 1HZ LYS 41 HZ1 LYS 41 78.558 12.105 -11.709 375 2HZ LYS 41 HZ2 LYS 41 79.487 11.464 -10.439 376 3HZ LYS 41 HZ3 LYS 41 77.931 12.073 -10.134 377 H GLU 42 HN GLU 42 79.108 11.276 -4.508 378 HA GLU 42 HA GLU 42 81.675 12.587 -5.339 379 1HB GLU 42 HB2 GLU 42 79.330 13.567 -4.023 380 2HB GLU 42 HB1 GLU 42 80.640 13.641 -2.854 381 1HG GLU 42 HG2 GLU 42 80.619 15.724 -4.066 382 2HG GLU 42 HG1 GLU 42 82.017 14.805 -4.615 383 H VAL 43 HN VAL 43 83.314 12.774 -3.578 384 HA VAL 43 HA VAL 43 83.632 10.189 -2.213 385 HB VAL 43 HB VAL 43 85.386 12.655 -2.385 386 1HG1 VAL 43 HG11 VAL 43 87.134 11.084 -1.402 387 2HG1 VAL 43 HG12 VAL 43 85.801 10.016 -0.963 388 3HG1 VAL 43 HG13 VAL 43 85.897 11.637 -0.274 389 1HG2 VAL 43 HG21 VAL 43 85.835 9.875 -3.490 390 2HG2 VAL 43 HG22 VAL 43 86.716 11.350 -3.886 391 3HG2 VAL 43 HG23 VAL 43 85.046 11.152 -4.417 392 H ILE 44 HN ILE 44 82.971 9.837 -0.155 393 HA ILE 44 HA ILE 44 82.220 12.186 1.511 394 HB ILE 44 HB ILE 44 81.573 9.289 2.035 395 1HG1 ILE 44 HG12 ILE 44 80.698 9.791 -0.169 396 2HG1 ILE 44 HG11 ILE 44 79.354 9.846 0.970 397 1HG2 ILE 44 HG21 ILE 44 81.339 11.008 3.863 398 2HG2 ILE 44 HG22 ILE 44 79.828 10.209 3.429 399 3HG2 ILE 44 HG23 ILE 44 80.163 11.841 2.850 400 1HD1 ILE 44 HD11 ILE 44 80.793 12.144 -0.351 401 2HD1 ILE 44 HD12 ILE 44 79.855 12.388 1.121 402 3HD1 ILE 44 HD13 ILE 44 79.068 11.792 -0.338 403 H GLN 45 HN GLN 45 84.451 9.467 1.421 404 HA GLN 45 HA GLN 45 85.785 10.604 3.814 405 1HB GLN 45 HB2 GLN 45 84.018 8.727 4.395 406 2HB GLN 45 HB1 GLN 45 85.284 7.638 3.833 407 1HG GLN 45 HG2 GLN 45 85.751 7.796 6.116 408 2HG GLN 45 HG1 GLN 45 86.824 9.015 5.447 409 1HE2 GLN 45 HE21 GLN 45 84.329 10.740 4.886 410 2HE2 GLN 45 HE22 GLN 45 83.979 11.436 6.392 411 H GLU 46 HN GLU 46 87.862 9.540 4.222 412 HA GLU 46 HA GLU 46 89.142 8.149 1.948 413 1HB GLU 46 HB2 GLU 46 89.779 10.893 2.969 414 2HB GLU 46 HB1 GLU 46 91.133 9.864 2.503 415 1HG GLU 46 HG2 GLU 46 90.192 9.557 0.279 416 2HG GLU 46 HG1 GLU 46 88.751 10.473 0.726 417 H TRP 47 HN TRP 47 90.672 6.664 2.672 418 HA TRP 47 HA TRP 47 91.562 6.813 5.516 419 1HB TRP 47 HB2 TRP 47 90.286 4.430 4.163 420 2HB TRP 47 HB1 TRP 47 91.206 4.305 5.651 421 HD1 TRP 47 HD1 TRP 47 90.135 6.740 7.290 422 HE1 TRP 47 HE1 TRP 47 87.689 6.794 8.094 423 HE3 TRP 47 HE3 TRP 47 88.041 3.428 4.009 424 HZ2 TRP 47 HZ2 TRP 47 85.189 5.595 7.451 425 HZ3 TRP 47 HZ3 TRP 47 85.624 2.899 4.135 426 HH2 TRP 47 HH2 TRP 47 84.198 3.974 5.852 427 H SER 48 HN SER 48 93.537 5.643 5.904 428 HA SER 48 HA SER 48 95.218 5.415 3.486 429 1HB SER 48 HB2 SER 48 95.775 5.342 6.442 430 2HB SER 48 HB1 SER 48 97.006 4.901 5.266 431 HG SER 48 HG SER 48 95.777 7.171 4.526 432 H LEU 49 HN LEU 49 96.126 3.448 2.773 433 HA LEU 49 HA LEU 49 94.629 1.066 3.336 434 1HB LEU 49 HB2 LEU 49 96.955 1.834 1.659 435 2HB LEU 49 HB1 LEU 49 96.970 0.148 2.164 436 HG LEU 49 HG LEU 49 94.457 1.363 1.015 437 1HD1 LEU 49 HD11 LEU 49 95.188 0.508 -1.215 438 2HD1 LEU 49 HD12 LEU 49 96.787 0.196 -0.539 439 3HD1 LEU 49 HD13 LEU 49 96.180 1.848 -0.642 440 1HD2 LEU 49 HD21 LEU 49 95.531 -1.451 0.735 441 2HD2 LEU 49 HD22 LEU 49 93.866 -0.894 0.571 442 3HD2 LEU 49 HD23 LEU 49 94.625 -0.950 2.161 443 H THR 50 HN THR 50 97.410 2.518 4.814 444 HA THR 50 HA THR 50 98.321 0.077 6.121 445 HB THR 50 HB THR 50 99.833 1.589 7.355 446 HG1 THR 50 HG1 THR 50 99.402 3.870 6.170 447 1HG2 THR 50 HG21 THR 50 101.021 2.520 5.394 448 2HG2 THR 50 HG22 THR 50 99.588 2.239 4.405 449 3HG2 THR 50 HG23 THR 50 100.467 0.874 5.092 450 H ASN 51 HN ASN 51 95.665 2.031 6.567 451 HA ASN 51 HA ASN 51 95.650 1.882 9.526 452 1HB ASN 51 HB2 ASN 51 93.733 3.045 7.492 453 2HB ASN 51 HB1 ASN 51 93.376 2.986 9.218 454 1HD2 ASN 51 HD21 ASN 51 96.731 3.317 8.694 455 2HD2 ASN 51 HD22 ASN 51 96.842 4.996 8.917 456 H ILE 52 HN ILE 52 94.485 0.089 6.807 457 HA ILE 52 HA ILE 52 92.282 -1.200 8.215 458 HB ILE 52 HB ILE 52 93.750 -1.962 5.671 459 1HG1 ILE 52 HG12 ILE 52 91.030 -0.672 6.032 460 2HG1 ILE 52 HG11 ILE 52 92.501 0.248 5.723 461 1HG2 ILE 52 HG21 ILE 52 91.231 -3.024 6.973 462 2HG2 ILE 52 HG22 ILE 52 92.677 -3.931 6.526 463 3HG2 ILE 52 HG23 ILE 52 91.616 -3.290 5.272 464 1HD1 ILE 52 HD11 ILE 52 91.237 -1.839 3.930 465 2HD1 ILE 52 HD12 ILE 52 92.847 -1.174 3.660 466 3HD1 ILE 52 HD13 ILE 52 91.436 -0.120 3.594 467 H LYS 53 HN LYS 53 92.473 -2.860 9.637 468 HA LYS 53 HA LYS 53 95.118 -4.138 10.014 469 1HB LYS 53 HB2 LYS 53 93.694 -3.328 11.946 470 2HB LYS 53 HB1 LYS 53 92.548 -4.608 11.551 471 1HG LYS 53 HG2 LYS 53 94.603 -6.200 11.706 472 2HG LYS 53 HG1 LYS 53 95.384 -4.865 12.552 473 1HD LYS 53 HD2 LYS 53 93.607 -4.838 14.228 474 2HD LYS 53 HD1 LYS 53 92.728 -6.092 13.353 475 1HE LYS 53 HE2 LYS 53 93.869 -7.283 15.045 476 2HE LYS 53 HE1 LYS 53 94.880 -7.511 13.620 477 1HZ LYS 53 HZ1 LYS 53 95.699 -5.145 14.800 478 2HZ LYS 53 HZ2 LYS 53 96.539 -6.621 14.755 479 3HZ LYS 53 HZ3 LYS 53 95.525 -6.258 16.068 480 H ARG 54 HN ARG 54 91.733 -5.184 9.494 481 HA ARG 54 HA ARG 54 92.656 -7.338 7.738 482 1HB ARG 54 HB2 ARG 54 91.321 -9.070 9.126 483 2HB ARG 54 HB1 ARG 54 92.932 -8.638 9.673 484 1HG ARG 54 HG2 ARG 54 92.007 -8.186 11.704 485 2HG ARG 54 HG1 ARG 54 91.280 -6.772 10.979 486 1HD ARG 54 HD2 ARG 54 89.296 -8.182 10.339 487 2HD ARG 54 HD1 ARG 54 90.035 -9.526 11.202 488 HE ARG 54 HE ARG 54 89.964 -7.307 12.978 489 1HH1 ARG 54 HH21 ARG 54 87.819 -9.374 11.248 490 2HH1 ARG 54 HH22 ARG 54 86.508 -9.159 12.360 491 1HH2 ARG 54 HH11 ARG 54 88.270 -7.018 14.437 492 2HH2 ARG 54 HH12 ARG 54 86.763 -7.827 14.164 493 H TRP 55 HN TRP 55 90.777 -8.506 6.782 494 HA TRP 55 HA TRP 55 88.205 -6.994 6.953 495 1HB TRP 55 HB2 TRP 55 88.086 -7.040 4.444 496 2HB TRP 55 HB1 TRP 55 89.367 -5.999 5.066 497 HD1 TRP 55 HD1 TRP 55 88.803 -9.406 3.419 498 HE1 TRP 55 HE1 TRP 55 91.028 -10.203 2.381 499 HE3 TRP 55 HE3 TRP 55 91.935 -5.754 5.130 500 HZ2 TRP 55 HZ2 TRP 55 93.763 -9.389 2.276 501 HZ3 TRP 55 HZ3 TRP 55 94.342 -5.790 4.544 502 HH2 TRP 55 HH2 TRP 55 95.256 -7.606 3.121 503 H ALA 56 HN ALA 56 86.509 -8.212 5.587 504 HA ALA 56 HA ALA 56 87.018 -11.130 5.403 505 1HB ALA 56 HB1 ALA 56 86.185 -11.232 7.579 506 2HB ALA 56 HB2 ALA 56 84.683 -11.347 6.666 507 3HB ALA 56 HB3 ALA 56 85.171 -9.805 7.373 508 H ALA 57 HN ALA 57 86.306 -11.586 3.386 509 HA ALA 57 HA ALA 57 84.115 -9.950 2.207 510 1HB ALA 57 HB1 ALA 57 84.840 -11.195 0.092 511 2HB ALA 57 HB2 ALA 57 86.197 -11.799 1.042 512 3HB ALA 57 HB3 ALA 57 86.007 -10.067 0.777 513 H SER 58 HN SER 58 82.131 -10.771 2.554 514 HA SER 58 HA SER 58 81.768 -13.689 2.792 515 1HB SER 58 HB2 SER 58 80.232 -11.258 3.561 516 2HB SER 58 HB1 SER 58 79.273 -12.672 3.142 517 HG SER 58 HG SER 58 80.204 -12.291 5.424 518 HA PRO 59 HA PRO 59 80.306 -14.217 -1.336 519 1HB PRO 59 HB2 PRO 59 77.895 -15.662 -0.771 520 2HB PRO 59 HB1 PRO 59 79.483 -16.348 -1.140 521 1HG PRO 59 HG2 PRO 59 78.120 -16.130 1.475 522 2HG PRO 59 HG1 PRO 59 79.487 -17.157 1.014 523 1HD PRO 59 HD2 PRO 59 79.652 -14.874 2.641 524 2HD PRO 59 HD1 PRO 59 81.021 -15.640 1.812 525 H LYS 60 HN LYS 60 78.751 -12.308 0.917 526 HA LYS 60 HA LYS 60 76.982 -11.135 -1.176 527 1HB LYS 60 HB2 LYS 60 75.124 -11.017 0.418 528 2HB LYS 60 HB1 LYS 60 75.614 -12.689 0.175 529 1HG LYS 60 HG2 LYS 60 77.157 -12.312 2.232 530 2HG LYS 60 HG1 LYS 60 76.135 -10.912 2.541 531 1HD LYS 60 HD2 LYS 60 74.142 -12.481 2.381 532 2HD LYS 60 HD1 LYS 60 75.303 -13.810 2.391 533 1HE LYS 60 HE2 LYS 60 74.435 -13.316 4.670 534 2HE LYS 60 HE1 LYS 60 76.178 -13.070 4.556 535 1HZ LYS 60 HZ1 LYS 60 74.871 -11.260 5.687 536 2HZ LYS 60 HZ2 LYS 60 74.230 -10.875 4.161 537 3HZ LYS 60 HZ3 LYS 60 75.902 -10.755 4.439 538 H SER 61 HN SER 61 78.896 -10.789 1.706 539 HA SER 61 HA SER 61 78.524 -7.812 1.545 540 1HB SER 61 HB2 SER 61 78.827 -9.446 4.071 541 2HB SER 61 HB1 SER 61 78.666 -7.696 3.978 542 HG SER 61 HG SER 61 76.708 -9.152 4.324 543 H PHE 62 HN PHE 62 80.264 -6.665 2.786 544 HA PHE 62 HA PHE 62 82.938 -7.979 2.594 545 1HB PHE 62 HB2 PHE 62 82.476 -6.696 0.502 546 2HB PHE 62 HB1 PHE 62 82.202 -5.255 1.473 547 HD1 PHE 62 HD1 PHE 62 84.803 -7.968 1.214 548 HD2 PHE 62 HD2 PHE 62 83.992 -3.766 1.573 549 HE1 PHE 62 HE1 PHE 62 87.230 -7.496 1.163 550 HE2 PHE 62 HE2 PHE 62 86.418 -3.295 1.516 551 HZ PHE 62 HZ PHE 62 88.042 -5.161 1.311 552 H THR 63 HN THR 63 84.345 -7.264 4.290 553 HA THR 63 HA THR 63 83.368 -4.980 5.964 554 HB THR 63 HB THR 63 84.012 -7.767 6.949 555 HG1 THR 63 HG1 THR 63 81.843 -7.333 7.879 556 1HG2 THR 63 HG21 THR 63 83.434 -6.725 9.210 557 2HG2 THR 63 HG22 THR 63 83.653 -5.156 8.434 558 3HG2 THR 63 HG23 THR 63 85.005 -6.285 8.539 559 H LEU 64 HN LEU 64 84.923 -3.781 6.931 560 HA LEU 64 HA LEU 64 87.785 -4.646 6.597 561 1HB LEU 64 HB2 LEU 64 86.746 -1.808 6.556 562 2HB LEU 64 HB1 LEU 64 88.398 -2.326 6.264 563 HG LEU 64 HG LEU 64 86.033 -3.139 4.555 564 1HD1 LEU 64 HD11 LEU 64 88.209 -1.137 3.889 565 2HD1 LEU 64 HD12 LEU 64 86.631 -0.666 4.519 566 3HD1 LEU 64 HD13 LEU 64 86.750 -1.485 2.963 567 1HD2 LEU 64 HD21 LEU 64 87.615 -4.777 4.116 568 2HD2 LEU 64 HD22 LEU 64 88.979 -3.747 4.543 569 3HD2 LEU 64 HD23 LEU 64 88.180 -3.550 2.989 570 H ASP 65 HN ASP 65 89.209 -3.721 8.239 571 HA ASP 65 HA ASP 65 87.845 -2.878 10.767 572 1HB ASP 65 HB2 ASP 65 88.369 -5.287 10.936 573 2HB ASP 65 HB1 ASP 65 90.047 -4.935 10.537 574 H PHE 66 HN PHE 66 88.831 -1.157 11.716 575 HA PHE 66 HA PHE 66 91.433 -0.234 10.558 576 1HB PHE 66 HB2 PHE 66 89.316 1.225 12.169 577 2HB PHE 66 HB1 PHE 66 90.812 1.951 11.581 578 HD1 PHE 66 HD1 PHE 66 91.293 1.613 9.001 579 HD2 PHE 66 HD2 PHE 66 87.404 1.346 10.810 580 HE1 PHE 66 HE1 PHE 66 90.238 2.021 6.795 581 HE2 PHE 66 HE2 PHE 66 86.351 1.756 8.603 582 HZ PHE 66 HZ PHE 66 87.768 2.091 6.597 583 H GLY 67 HN GLY 67 90.302 -1.989 13.096 584 1HA GLY 67 HA2 GLY 67 91.415 -2.714 15.048 585 2HA GLY 67 HA1 GLY 67 92.759 -1.654 14.618 586 H ASP 68 HN ASP 68 90.258 0.360 14.374 587 HA ASP 68 HA ASP 68 90.663 1.408 17.120 588 1HB ASP 68 HB2 ASP 68 89.042 2.740 14.965 589 2HB ASP 68 HB1 ASP 68 89.926 3.478 16.295 590 H TYR 69 HN TYR 69 89.325 0.075 18.397 591 HA TYR 69 HA TYR 69 86.785 -0.904 17.858 592 1HB TYR 69 HB2 TYR 69 87.955 -1.419 19.940 593 2HB TYR 69 HB1 TYR 69 87.794 0.256 20.470 594 HD1 TYR 69 HD1 TYR 69 85.807 1.025 21.519 595 HD2 TYR 69 HD2 TYR 69 85.853 -2.776 19.525 596 HE1 TYR 69 HE1 TYR 69 83.561 0.514 22.443 597 HE2 TYR 69 HE2 TYR 69 83.609 -3.290 20.449 598 HH TYR 69 HH TYR 69 81.968 -1.024 22.656 599 H GLN 70 HN GLN 70 87.584 2.309 19.167 600 HA GLN 70 HA GLN 70 85.013 3.341 19.512 601 1HB GLN 70 HB2 GLN 70 86.010 5.572 19.018 602 2HB GLN 70 HB1 GLN 70 86.990 4.624 20.124 603 1HG GLN 70 HG2 GLN 70 88.232 3.844 17.965 604 2HG GLN 70 HG1 GLN 70 87.494 5.263 17.234 605 1HE2 GLN 70 HE21 GLN 70 90.050 4.181 19.319 606 2HE2 GLN 70 HE22 GLN 70 90.652 5.716 19.721 607 H ASP 71 HN ASP 71 86.960 3.555 16.516 608 HA ASP 71 HA ASP 71 84.861 4.670 14.942 609 1HB ASP 71 HB2 ASP 71 87.391 4.486 14.428 610 2HB ASP 71 HB1 ASP 71 87.008 2.875 13.835 611 H GLY 72 HN GLY 72 85.775 1.376 15.736 612 1HA GLY 72 HA2 GLY 72 84.419 -0.558 15.666 613 2HA GLY 72 HA1 GLY 72 83.127 0.420 14.973 614 H TYR 73 HN TYR 73 83.431 -1.986 13.830 615 HA TYR 73 HA TYR 73 85.335 -1.961 11.625 616 1HB TYR 73 HB2 TYR 73 82.878 -3.701 11.935 617 2HB TYR 73 HB1 TYR 73 84.311 -4.042 10.973 618 HD1 TYR 73 HD1 TYR 73 86.565 -4.175 12.211 619 HD2 TYR 73 HD2 TYR 73 82.766 -4.422 14.180 620 HE1 TYR 73 HE1 TYR 73 87.657 -5.238 14.166 621 HE2 TYR 73 HE2 TYR 73 83.849 -5.489 16.141 622 HH TYR 73 HH TYR 73 86.314 -5.448 17.128 623 H TYR 74 HN TYR 74 84.370 -2.352 9.338 624 HA TYR 74 HA TYR 74 82.040 -0.557 8.819 625 1HB TYR 74 HB2 TYR 74 84.093 0.683 8.283 626 2HB TYR 74 HB1 TYR 74 84.663 -0.669 7.307 627 HD1 TYR 74 HD1 TYR 74 81.671 1.569 7.643 628 HD2 TYR 74 HD2 TYR 74 84.243 -0.639 5.001 629 HE1 TYR 74 HE1 TYR 74 80.432 2.460 5.689 630 HE2 TYR 74 HE2 TYR 74 83.003 0.254 3.048 631 HH TYR 74 HH TYR 74 80.788 2.845 3.308 632 H SER 75 HN SER 75 80.572 -2.041 8.150 633 HA SER 75 HA SER 75 81.376 -4.016 6.063 634 1HB SER 75 HB2 SER 75 79.635 -5.509 7.053 635 2HB SER 75 HB1 SER 75 80.985 -5.192 8.136 636 HG SER 75 HG SER 75 78.501 -4.839 8.685 637 H VAL 76 HN VAL 76 79.964 -4.392 4.398 638 HA VAL 76 HA VAL 76 77.330 -3.059 4.340 639 HB VAL 76 HB VAL 76 77.848 -1.901 2.193 640 1HG1 VAL 76 HG11 VAL 76 78.966 -0.034 3.186 641 2HG1 VAL 76 HG12 VAL 76 79.816 -1.064 4.337 642 3HG1 VAL 76 HG13 VAL 76 78.078 -0.811 4.498 643 1HG2 VAL 76 HG21 VAL 76 79.712 -3.290 1.452 644 2HG2 VAL 76 HG22 VAL 76 80.668 -2.812 2.854 645 3HG2 VAL 76 HG23 VAL 76 80.271 -1.626 1.613 646 H GLN 77 HN GLN 77 76.244 -3.643 2.145 647 HA GLN 77 HA GLN 77 76.615 -6.496 1.742 648 1HB GLN 77 HB2 GLN 77 74.753 -4.418 0.585 649 2HB GLN 77 HB1 GLN 77 74.754 -6.089 0.021 650 1HG GLN 77 HG2 GLN 77 73.075 -5.751 1.806 651 2HG GLN 77 HG1 GLN 77 74.333 -6.874 2.317 652 1HE2 GLN 77 HE21 GLN 77 74.315 -3.267 2.200 653 2HE2 GLN 77 HE22 GLN 77 74.699 -3.070 3.842 654 H THR 78 HN THR 78 77.614 -7.488 0.023 655 HA THR 78 HA THR 78 78.356 -5.917 -2.373 656 HB THR 78 HB THR 78 80.709 -6.630 -2.246 657 HG1 THR 78 HG1 THR 78 80.034 -8.450 -0.788 658 1HG2 THR 78 HG21 THR 78 79.784 -4.480 -1.085 659 2HG2 THR 78 HG22 THR 78 81.423 -5.001 -0.716 660 3HG2 THR 78 HG23 THR 78 80.113 -5.348 0.412 661 H THR 79 HN THR 79 78.001 -7.184 -4.110 662 HA THR 79 HA THR 79 77.225 -9.951 -3.822 663 HB THR 79 HB THR 79 77.990 -8.424 -6.327 664 HG1 THR 79 HG1 THR 79 75.479 -8.567 -6.296 665 1HG2 THR 79 HG21 THR 79 77.959 -10.768 -6.797 666 2HG2 THR 79 HG22 THR 79 76.416 -10.131 -7.365 667 3HG2 THR 79 HG23 THR 79 76.499 -11.008 -5.837 668 H GLU 80 HN GLU 80 80.195 -8.274 -4.560 669 HA GLU 80 HA GLU 80 81.576 -10.821 -5.201 670 1HB GLU 80 HB2 GLU 80 82.805 -8.070 -5.239 671 2HB GLU 80 HB1 GLU 80 83.315 -9.511 -6.117 672 1HG GLU 80 HG2 GLU 80 82.216 -8.205 -7.751 673 2HG GLU 80 HG1 GLU 80 81.010 -9.399 -7.279 674 H GLY 81 HN GLY 81 82.566 -7.942 -3.415 675 1HA GLY 81 HA2 GLY 81 83.559 -7.725 -1.294 676 2HA GLY 81 HA1 GLY 81 82.875 -9.300 -0.893 677 H GLU 82 HN GLU 82 84.089 -10.842 -2.915 678 HA GLU 82 HA GLU 82 86.662 -11.352 -1.746 679 1HB GLU 82 HB2 GLU 82 85.573 -13.211 -2.747 680 2HB GLU 82 HB1 GLU 82 85.247 -12.323 -4.229 681 1HG GLU 82 HG2 GLU 82 87.477 -12.451 -4.945 682 2HG GLU 82 HG1 GLU 82 88.068 -12.853 -3.341 683 H GLN 83 HN GLN 83 85.796 -10.193 -4.993 684 HA GLN 83 HA GLN 83 88.353 -9.544 -5.923 685 1HB GLN 83 HB2 GLN 83 85.921 -7.818 -6.384 686 2HB GLN 83 HB1 GLN 83 87.304 -8.004 -7.447 687 1HG GLN 83 HG2 GLN 83 86.703 -10.282 -7.936 688 2HG GLN 83 HG1 GLN 83 85.449 -10.263 -6.707 689 1HE2 GLN 83 HE21 GLN 83 83.900 -10.798 -8.469 690 2HE2 GLN 83 HE22 GLN 83 83.333 -9.562 -9.482 691 H ILE 84 HN ILE 84 86.123 -7.505 -4.091 692 HA ILE 84 HA ILE 84 87.790 -5.228 -3.859 693 HB ILE 84 HB ILE 84 85.952 -6.297 -1.699 694 1HG1 ILE 84 HG12 ILE 84 85.303 -4.593 -4.129 695 2HG1 ILE 84 HG11 ILE 84 84.804 -6.267 -3.889 696 1HG2 ILE 84 HG21 ILE 84 86.732 -3.468 -2.470 697 2HG2 ILE 84 HG22 ILE 84 87.435 -4.367 -1.126 698 3HG2 ILE 84 HG23 ILE 84 85.725 -3.939 -1.102 699 1HD1 ILE 84 HD11 ILE 84 82.924 -5.001 -3.212 700 2HD1 ILE 84 HD12 ILE 84 83.920 -3.812 -2.374 701 3HD1 ILE 84 HD13 ILE 84 83.719 -5.428 -1.697 702 H ALA 85 HN ALA 85 87.866 -8.342 -2.289 703 HA ALA 85 HA ALA 85 89.851 -7.498 -0.281 704 1HB ALA 85 HB1 ALA 85 89.741 -9.729 0.532 705 2HB ALA 85 HB2 ALA 85 89.124 -10.344 -1.002 706 3HB ALA 85 HB3 ALA 85 88.094 -9.354 0.031 707 H GLN 86 HN GLN 86 89.744 -9.020 -3.441 708 HA GLN 86 HA GLN 86 92.558 -9.819 -3.372 709 1HB GLN 86 HB2 GLN 86 90.689 -10.915 -4.749 710 2HB GLN 86 HB1 GLN 86 90.830 -9.533 -5.822 711 1HG GLN 86 HG2 GLN 86 93.325 -10.055 -5.924 712 2HG GLN 86 HG1 GLN 86 92.925 -11.590 -5.168 713 1HE2 GLN 86 HE21 GLN 86 93.957 -12.055 -7.549 714 2HE2 GLN 86 HE22 GLN 86 92.788 -12.331 -8.743 715 H LEU 87 HN LEU 87 90.603 -7.197 -4.624 716 HA LEU 87 HA LEU 87 92.734 -5.881 -6.045 717 1HB LEU 87 HB2 LEU 87 90.395 -5.377 -6.568 718 2HB LEU 87 HB1 LEU 87 90.117 -4.841 -4.913 719 HG LEU 87 HG LEU 87 91.668 -2.985 -5.205 720 1HD1 LEU 87 HD11 LEU 87 92.447 -2.629 -7.702 721 2HD1 LEU 87 HD12 LEU 87 92.210 -4.371 -7.833 722 3HD1 LEU 87 HD13 LEU 87 93.358 -3.722 -6.662 723 1HD2 LEU 87 HD21 LEU 87 90.446 -1.820 -7.142 724 2HD2 LEU 87 HD22 LEU 87 89.435 -2.444 -5.839 725 3HD2 LEU 87 HD23 LEU 87 89.568 -3.335 -7.356 726 H ILE 88 HN ILE 88 91.320 -5.663 -2.843 727 HA ILE 88 HA ILE 88 92.963 -3.493 -1.895 728 HB ILE 88 HB ILE 88 91.326 -5.664 -0.571 729 1HG1 ILE 88 HG12 ILE 88 90.374 -3.516 -1.771 730 2HG1 ILE 88 HG11 ILE 88 89.707 -4.013 -0.222 731 1HG2 ILE 88 HG21 ILE 88 93.096 -3.596 0.742 732 2HG2 ILE 88 HG22 ILE 88 93.024 -5.331 1.048 733 3HG2 ILE 88 HG23 ILE 88 91.703 -4.288 1.574 734 1HD1 ILE 88 HD11 ILE 88 90.255 -1.538 -0.449 735 2HD1 ILE 88 HD12 ILE 88 91.955 -1.997 -0.444 736 3HD1 ILE 88 HD13 ILE 88 90.943 -2.342 0.958 737 H ALA 89 HN ALA 89 93.070 -7.014 -1.377 738 HA ALA 89 HA ALA 89 95.538 -7.089 0.035 739 1HB ALA 89 HB1 ALA 89 94.022 -9.023 -0.100 740 2HB ALA 89 HB2 ALA 89 95.634 -9.461 -0.667 741 3HB ALA 89 HB3 ALA 89 94.341 -9.161 -1.829 742 H GLY 90 HN GLY 90 94.835 -6.423 -3.250 743 1HA GLY 90 HA2 GLY 90 97.477 -7.219 -4.260 744 2HA GLY 90 HA1 GLY 90 96.204 -6.433 -5.189 745 H TYR 91 HN TYR 91 95.895 -4.238 -3.166 746 HA TYR 91 HA TYR 91 98.102 -2.583 -4.192 747 1HB TYR 91 HB2 TYR 91 95.655 -1.987 -2.521 748 2HB TYR 91 HB1 TYR 91 96.890 -0.772 -2.815 749 HD1 TYR 91 HD1 TYR 91 93.775 -1.658 -3.846 750 HD2 TYR 91 HD2 TYR 91 97.649 -0.906 -5.568 751 HE1 TYR 91 HE1 TYR 91 92.715 -1.069 -6.002 752 HE2 TYR 91 HE2 TYR 91 96.578 -0.350 -7.722 753 HH TYR 91 HH TYR 91 93.436 -1.099 -8.473 754 H ILE 92 HN ILE 92 97.371 -4.329 -1.318 755 HA ILE 92 HA ILE 92 99.016 -2.712 0.446 756 HB ILE 92 HB ILE 92 97.963 -5.534 0.720 757 1HG1 ILE 92 HG12 ILE 92 97.006 -2.924 1.940 758 2HG1 ILE 92 HG11 ILE 92 96.288 -3.663 0.508 759 1HG2 ILE 92 HG21 ILE 92 99.823 -5.327 2.206 760 2HG2 ILE 92 HG22 ILE 92 98.393 -5.036 3.195 761 3HG2 ILE 92 HG23 ILE 92 99.378 -3.679 2.647 762 1HD1 ILE 92 HD11 ILE 92 94.957 -4.376 2.367 763 2HD1 ILE 92 HD12 ILE 92 96.386 -4.788 3.315 764 3HD1 ILE 92 HD13 ILE 92 95.951 -5.757 1.910 765 H ASP 93 HN ASP 93 99.591 -5.365 -1.739 766 HA ASP 93 HA ASP 93 102.213 -6.014 -0.580 767 1HB ASP 93 HB2 ASP 93 100.669 -6.966 -2.995 768 2HB ASP 93 HB1 ASP 93 102.340 -7.452 -2.714 769 H ILE 94 HN ILE 94 100.938 -3.830 -2.922 770 HA ILE 94 HA ILE 94 103.485 -3.528 -4.363 771 HB ILE 94 HB ILE 94 100.919 -1.933 -4.536 772 1HG1 ILE 94 HG12 ILE 94 102.002 -4.097 -6.367 773 2HG1 ILE 94 HG11 ILE 94 100.784 -4.389 -5.125 774 1HG2 ILE 94 HG21 ILE 94 103.464 -1.993 -6.172 775 2HG2 ILE 94 HG22 ILE 94 102.713 -0.601 -5.393 776 3HG2 ILE 94 HG23 ILE 94 101.953 -1.338 -6.803 777 1HD1 ILE 94 HD11 ILE 94 99.200 -2.979 -6.203 778 2HD1 ILE 94 HD12 ILE 94 99.914 -3.940 -7.495 779 3HD1 ILE 94 HD13 ILE 94 100.425 -2.271 -7.253 780 H ILE 95 HN ILE 95 101.776 -1.986 -1.746 781 HA ILE 95 HA ILE 95 103.468 0.422 -1.815 782 HB ILE 95 HB ILE 95 102.285 0.962 0.320 783 1HG1 ILE 95 HG12 ILE 95 100.959 -1.710 -0.236 784 2HG1 ILE 95 HG11 ILE 95 101.932 -1.287 1.172 785 1HG2 ILE 95 HG21 ILE 95 100.351 0.089 -1.834 786 2HG2 ILE 95 HG22 ILE 95 101.399 1.495 -2.007 787 3HG2 ILE 95 HG23 ILE 95 100.189 1.450 -0.725 788 1HD1 ILE 95 HD11 ILE 95 99.181 -0.294 0.432 789 2HD1 ILE 95 HD12 ILE 95 100.201 0.600 1.560 790 3HD1 ILE 95 HD13 ILE 95 99.708 -1.050 1.936 791 H LEU 96 HN LEU 96 103.366 -2.652 -0.188 792 HA LEU 96 HA LEU 96 105.321 -1.872 1.850 793 1HB LEU 96 HB2 LEU 96 103.696 -4.271 1.160 794 2HB LEU 96 HB1 LEU 96 105.182 -4.579 2.061 795 HG LEU 96 HG LEU 96 103.293 -2.410 2.987 796 1HD1 LEU 96 HD11 LEU 96 102.984 -5.390 3.334 797 2HD1 LEU 96 HD12 LEU 96 101.764 -4.207 2.870 798 3HD1 LEU 96 HD13 LEU 96 102.350 -4.263 4.531 799 1HD2 LEU 96 HD21 LEU 96 104.989 -4.330 4.601 800 2HD2 LEU 96 HD22 LEU 96 104.336 -2.771 5.103 801 3HD2 LEU 96 HD23 LEU 96 105.654 -2.840 3.934 802 H LYS 97 HN LYS 97 105.401 -3.625 -1.234 803 HA LYS 97 HA LYS 97 108.082 -4.622 -0.846 804 1HB LYS 97 HB2 LYS 97 108.050 -5.170 -3.218 805 2HB LYS 97 HB1 LYS 97 106.513 -5.610 -2.487 806 1HG LYS 97 HG2 LYS 97 105.607 -4.461 -4.250 807 2HG LYS 97 HG1 LYS 97 105.960 -3.040 -3.280 808 1HD LYS 97 HD2 LYS 97 106.810 -2.686 -5.525 809 2HD LYS 97 HD1 LYS 97 108.177 -2.876 -4.441 810 1HE LYS 97 HE2 LYS 97 107.207 -5.407 -5.662 811 2HE LYS 97 HE1 LYS 97 107.920 -4.252 -6.786 812 1HZ LYS 97 HZ1 LYS 97 109.481 -4.380 -4.443 813 2HZ LYS 97 HZ2 LYS 97 109.920 -4.753 -6.041 814 3HZ LYS 97 HZ3 LYS 97 109.245 -5.949 -5.042 815 H LYS 98 HN LYS 98 106.780 -1.594 -2.093 816 HA LYS 98 HA LYS 98 109.254 -0.707 -3.289 817 1HB LYS 98 HB2 LYS 98 106.922 0.917 -2.231 818 2HB LYS 98 HB1 LYS 98 108.185 1.504 -3.312 819 1HG LYS 98 HG2 LYS 98 107.466 0.107 -5.092 820 2HG LYS 98 HG1 LYS 98 106.472 -0.879 -4.023 821 1HD LYS 98 HD2 LYS 98 105.106 0.700 -5.374 822 2HD LYS 98 HD1 LYS 98 104.958 0.999 -3.642 823 1HE LYS 98 HE2 LYS 98 106.363 2.908 -3.737 824 2HE LYS 98 HE1 LYS 98 106.982 2.475 -5.331 825 1HZ LYS 98 HZ1 LYS 98 104.161 3.205 -4.760 826 2HZ LYS 98 HZ2 LYS 98 104.845 2.914 -6.288 827 3HZ LYS 98 HZ3 LYS 98 105.322 4.273 -5.386 828 H LYS 99 HN LYS 99 107.736 -0.197 -0.110 829 HA LYS 99 HA LYS 99 109.914 1.469 0.833 830 1HB LYS 99 HB2 LYS 99 107.615 0.110 2.229 831 2HB LYS 99 HB1 LYS 99 108.788 1.110 3.079 832 1HG LYS 99 HG2 LYS 99 107.428 2.232 0.635 833 2HG LYS 99 HG1 LYS 99 106.538 2.174 2.152 834 1HD LYS 99 HD2 LYS 99 108.244 3.490 3.274 835 2HD LYS 99 HD1 LYS 99 109.271 3.450 1.842 836 1HE LYS 99 HE2 LYS 99 107.979 5.588 2.079 837 2HE LYS 99 HE1 LYS 99 107.650 4.733 0.573 838 1HZ LYS 99 HZ1 LYS 99 105.534 4.489 1.135 839 2HZ LYS 99 HZ2 LYS 99 105.809 5.536 2.444 840 3HZ LYS 99 HZ3 LYS 99 105.929 3.855 2.657 841 H LYS 100 HN LYS 100 109.253 -1.937 0.727 842 HA LYS 100 HA LYS 100 111.940 -2.542 1.654 843 1HB LYS 100 HB2 LYS 100 110.811 -2.169 3.826 844 2HB LYS 100 HB1 LYS 100 109.601 -3.379 3.397 845 1HG LYS 100 HG2 LYS 100 111.288 -5.118 3.303 846 2HG LYS 100 HG1 LYS 100 112.576 -3.936 3.544 847 1HD LYS 100 HD2 LYS 100 111.549 -3.358 5.759 848 2HD LYS 100 HD1 LYS 100 110.405 -4.679 5.524 849 1HE LYS 100 HE2 LYS 100 113.419 -4.889 5.733 850 2HE LYS 100 HE1 LYS 100 112.225 -5.529 6.862 851 1HZ LYS 100 HZ1 LYS 100 111.370 -6.891 4.972 852 2HZ LYS 100 HZ2 LYS 100 112.931 -7.310 5.497 853 3HZ LYS 100 HZ3 LYS 100 112.724 -6.405 4.074 854 1H SER 1 HT1 SER 1 87.508 -19.152 8.350 855 2H SER 1 HT2 SER 1 88.457 -17.865 7.778 856 3H SER 1 HT3 SER 1 86.845 -18.028 7.268 857 HA SER 1 HA SER 1 85.995 -17.457 9.374 858 1HB SER 1 HB2 SER 1 87.420 -17.198 11.324 859 2HB SER 1 HB1 SER 1 87.719 -18.786 10.624 860 HG SER 1 HG SER 1 89.399 -16.685 10.948 861 H TRP 2 HN TRP 2 89.272 -16.165 8.675 862 HA TRP 2 HA TRP 2 88.078 -13.619 7.793 863 1HB TRP 2 HB2 TRP 2 89.521 -13.965 10.408 864 2HB TRP 2 HB1 TRP 2 89.813 -12.485 9.505 865 HD1 TRP 2 HD1 TRP 2 86.997 -14.440 11.202 866 HE1 TRP 2 HE1 TRP 2 85.058 -12.812 11.701 867 HE3 TRP 2 HE3 TRP 2 88.729 -10.263 8.837 868 HZ2 TRP 2 HZ2 TRP 2 84.344 -10.092 11.166 869 HZ3 TRP 2 HZ3 TRP 2 87.403 -8.168 8.848 870 HH2 TRP 2 HH2 TRP 2 85.222 -8.080 10.010 871 H VAL 3 HN VAL 3 90.306 -12.060 7.726 872 HA VAL 3 HA VAL 3 92.574 -13.556 6.635 873 HB VAL 3 HB VAL 3 91.281 -13.509 4.638 874 1HG1 VAL 3 HG11 VAL 3 90.141 -11.481 3.844 875 2HG1 VAL 3 HG12 VAL 3 90.695 -10.611 5.274 876 3HG1 VAL 3 HG13 VAL 3 89.553 -11.948 5.440 877 1HG2 VAL 3 HG21 VAL 3 92.619 -12.197 3.182 878 2HG2 VAL 3 HG22 VAL 3 93.670 -12.527 4.563 879 3HG2 VAL 3 HG23 VAL 3 92.883 -10.955 4.407 880 1HN PTR 4 HN PTR 4 94.461 -12.298 6.731 881 HA PTR 4 HA PTR 4 94.133 -9.538 7.882 882 1HB PTR 4 HB1 PTR 4 96.408 -10.023 8.917 883 2HB PTR 4 HB2 PTR 4 96.183 -11.697 8.417 884 HD1 PTR 4 HD1 PTR 4 93.759 -12.705 9.060 885 HD2 PTR 4 HD2 PTR 4 95.709 -9.441 11.074 886 HE1 PTR 4 HE1 PTR 4 92.407 -13.143 11.086 887 HE2 PTR 4 HE2 PTR 4 94.346 -9.880 13.097 888 H SER 5 HN SER 5 96.748 -8.710 7.713 889 HA SER 5 HA SER 5 97.547 -8.983 4.862 890 1HB SER 5 HB2 SER 5 97.073 -6.800 4.331 891 2HB SER 5 HB1 SER 5 96.053 -6.821 5.762 892 HG SER 5 HG SER 5 98.748 -5.977 5.524 893 HA PRO 6 HA PRO 6 101.618 -9.021 6.582 894 1HB PRO 6 HB2 PRO 6 102.913 -7.258 4.729 895 2HB PRO 6 HB1 PRO 6 102.838 -9.022 4.643 896 1HG PRO 6 HG2 PRO 6 101.374 -7.055 3.027 897 2HG PRO 6 HG1 PRO 6 101.521 -8.800 2.776 898 1HD PRO 6 HD2 PRO 6 99.210 -7.420 3.706 899 2HD PRO 6 HD1 PRO 6 99.460 -9.178 3.692 900 H LEU 7 HN LEU 7 100.099 -5.932 5.869 901 HA LEU 7 HA LEU 7 101.802 -4.080 7.038 902 1HB LEU 7 HB2 LEU 7 98.788 -4.246 7.321 903 2HB LEU 7 HB1 LEU 7 99.747 -2.818 7.689 904 HG LEU 7 HG LEU 7 99.997 -4.106 4.971 905 1HD1 LEU 7 HD11 LEU 7 97.767 -2.310 5.942 906 2HD1 LEU 7 HD12 LEU 7 97.633 -3.842 5.083 907 3HD1 LEU 7 HD13 LEU 7 98.216 -2.409 4.239 908 1HD2 LEU 7 HD21 LEU 7 100.441 -1.731 4.328 909 2HD2 LEU 7 HD22 LEU 7 101.569 -2.313 5.550 910 3HD2 LEU 7 HD23 LEU 7 100.233 -1.262 6.014 911 H HIS 8 HN HIS 8 100.411 -6.785 8.566 912 HA HIS 8 HA HIS 8 100.231 -7.427 10.819 913 1HB HIS 8 HB2 HIS 8 102.694 -5.666 10.946 914 2HB HIS 8 HB1 HIS 8 102.243 -6.890 12.130 915 HD1 HIS 8 HD1 HIS 8 104.886 -7.033 10.407 916 HD2 HIS 8 HD2 HIS 8 101.339 -9.037 9.523 917 HE1 HIS 8 HE1 HIS 8 105.520 -9.002 8.945 Start of MODEL 17 1 1H LEU 1 HT1 LEU 1 88.159 16.936 -9.059 2 2H LEU 1 HT2 LEU 1 87.055 17.593 -10.171 3 3H LEU 1 HT3 LEU 1 88.668 17.320 -10.630 4 HA LEU 1 HA LEU 1 86.442 15.471 -10.487 5 1HB LEU 1 HB2 LEU 1 89.090 15.216 -11.922 6 2HB LEU 1 HB1 LEU 1 87.538 14.504 -12.364 7 HG LEU 1 HG LEU 1 88.255 17.450 -12.423 8 1HD1 LEU 1 HD11 LEU 1 87.647 15.402 -14.574 9 2HD1 LEU 1 HD12 LEU 1 89.170 16.253 -14.318 10 3HD1 LEU 1 HD13 LEU 1 87.749 17.138 -14.872 11 1HD2 LEU 1 HD21 LEU 1 85.968 17.365 -11.775 12 2HD2 LEU 1 HD22 LEU 1 85.641 15.978 -12.814 13 3HD2 LEU 1 HD23 LEU 1 85.923 17.567 -13.525 14 H LYS 2 HN LYS 2 87.101 15.210 -8.029 15 HA LYS 2 HA LYS 2 89.415 13.707 -7.346 16 1HB LYS 2 HB2 LYS 2 86.714 14.096 -6.067 17 2HB LYS 2 HB1 LYS 2 87.902 13.007 -5.352 18 1HG LYS 2 HG2 LYS 2 87.985 15.350 -4.444 19 2HG LYS 2 HG1 LYS 2 89.507 14.790 -5.126 20 1HD LYS 2 HD2 LYS 2 89.200 16.065 -7.117 21 2HD LYS 2 HD1 LYS 2 87.508 16.384 -6.734 22 1HE LYS 2 HE2 LYS 2 88.121 17.795 -4.874 23 2HE LYS 2 HE1 LYS 2 89.817 17.339 -5.025 24 1HZ LYS 2 HZ1 LYS 2 89.265 19.520 -6.025 25 2HZ LYS 2 HZ2 LYS 2 88.277 18.719 -7.151 26 3HZ LYS 2 HZ3 LYS 2 89.950 18.424 -7.124 27 H THR 3 HN THR 3 87.097 12.819 -9.459 28 HA THR 3 HA THR 3 86.893 9.988 -8.584 29 HB THR 3 HB THR 3 85.727 11.126 -11.129 30 HG1 THR 3 HG1 THR 3 84.443 12.301 -9.990 31 1HG2 THR 3 HG21 THR 3 84.569 9.076 -9.243 32 2HG2 THR 3 HG22 THR 3 85.731 8.627 -10.491 33 3HG2 THR 3 HG23 THR 3 84.184 9.342 -10.943 34 H TYR 4 HN TYR 4 89.445 11.079 -9.359 35 HA TYR 4 HA TYR 4 90.246 10.558 -11.999 36 1HB TYR 4 HB2 TYR 4 91.569 10.622 -9.340 37 2HB TYR 4 HB1 TYR 4 92.429 9.687 -10.552 38 HD1 TYR 4 HD1 TYR 4 93.380 10.740 -12.516 39 HD2 TYR 4 HD2 TYR 4 91.180 13.020 -9.636 40 HE1 TYR 4 HE1 TYR 4 94.237 12.836 -13.531 41 HE2 TYR 4 HE2 TYR 4 92.029 15.124 -10.642 42 HH TYR 4 HH TYR 4 94.424 15.067 -13.257 43 H GLY 5 HN GLY 5 91.862 8.542 -12.394 44 1HA GLY 5 HA2 GLY 5 90.284 6.263 -12.794 45 2HA GLY 5 HA1 GLY 5 92.044 6.218 -12.698 46 H VAL 6 HN VAL 6 89.075 5.829 -10.890 47 HA VAL 6 HA VAL 6 90.625 4.490 -8.692 48 HB VAL 6 HB VAL 6 88.163 6.253 -8.463 49 1HG1 VAL 6 HG11 VAL 6 87.860 4.472 -6.910 50 2HG1 VAL 6 HG12 VAL 6 88.550 5.798 -5.973 51 3HG1 VAL 6 HG13 VAL 6 89.571 4.454 -6.483 52 1HG2 VAL 6 HG21 VAL 6 90.859 6.561 -7.124 53 2HG2 VAL 6 HG22 VAL 6 89.569 7.756 -7.258 54 3HG2 VAL 6 HG23 VAL 6 90.499 7.298 -8.685 55 H SER 7 HN SER 7 89.808 2.482 -8.089 56 HA SER 7 HA SER 7 87.755 1.331 -9.843 57 1HB SER 7 HB2 SER 7 89.004 -0.044 -7.474 58 2HB SER 7 HB1 SER 7 88.378 -0.755 -8.955 59 HG SER 7 HG SER 7 90.243 1.014 -9.607 60 H PHE 8 HN PHE 8 85.777 2.140 -9.304 61 HA PHE 8 HA PHE 8 84.875 2.294 -6.495 62 1HB PHE 8 HB2 PHE 8 82.757 3.114 -7.581 63 2HB PHE 8 HB1 PHE 8 84.178 4.073 -7.979 64 HD1 PHE 8 HD1 PHE 8 81.822 1.502 -9.230 65 HD2 PHE 8 HD2 PHE 8 85.087 4.115 -10.210 66 HE1 PHE 8 HE1 PHE 8 81.459 1.052 -11.642 67 HE2 PHE 8 HE2 PHE 8 84.725 3.665 -12.621 68 HZ PHE 8 HZ PHE 8 82.910 2.133 -13.337 69 H PHE 9 HN PHE 9 83.329 0.913 -5.591 70 HA PHE 9 HA PHE 9 82.422 -1.422 -7.253 71 1HB PHE 9 HB2 PHE 9 83.571 -1.340 -4.460 72 2HB PHE 9 HB1 PHE 9 82.510 -2.655 -4.957 73 HD1 PHE 9 HD1 PHE 9 85.663 -0.863 -5.855 74 HD2 PHE 9 HD2 PHE 9 83.331 -4.448 -6.270 75 HE1 PHE 9 HE1 PHE 9 87.577 -1.982 -6.968 76 HE2 PHE 9 HE2 PHE 9 85.245 -5.566 -7.382 77 HZ PHE 9 HZ PHE 9 87.366 -4.332 -7.732 78 H LEU 10 HN LEU 10 80.242 -1.835 -7.111 79 HA LEU 10 HA LEU 10 78.573 0.073 -5.660 80 1HB LEU 10 HB2 LEU 10 77.953 -0.882 -7.899 81 2HB LEU 10 HB1 LEU 10 77.745 -2.446 -7.121 82 HG LEU 10 HG LEU 10 76.128 -1.093 -5.488 83 1HD1 LEU 10 HD11 LEU 10 76.160 0.596 -8.004 84 2HD1 LEU 10 HD12 LEU 10 76.609 1.119 -6.381 85 3HD1 LEU 10 HD13 LEU 10 74.935 0.693 -6.738 86 1HD2 LEU 10 HD21 LEU 10 75.339 -1.761 -8.344 87 2HD2 LEU 10 HD22 LEU 10 74.246 -1.644 -6.964 88 3HD2 LEU 10 HD23 LEU 10 75.454 -2.927 -7.026 89 H VAL 11 HN VAL 11 78.532 -0.158 -3.514 90 HA VAL 11 HA VAL 11 77.932 -2.873 -2.385 91 HB VAL 11 HB VAL 11 79.104 -2.264 -0.390 92 1HG1 VAL 11 HG11 VAL 11 80.894 -1.137 -2.550 93 2HG1 VAL 11 HG12 VAL 11 80.443 -2.841 -2.553 94 3HG1 VAL 11 HG13 VAL 11 81.329 -2.166 -1.185 95 1HG2 VAL 11 HG21 VAL 11 78.512 0.006 -0.044 96 2HG2 VAL 11 HG22 VAL 11 79.157 0.497 -1.610 97 3HG2 VAL 11 HG23 VAL 11 80.255 0.043 -0.308 98 H LYS 12 HN LYS 12 76.208 -2.920 -0.897 99 HA LYS 12 HA LYS 12 74.527 -0.434 -0.878 100 1HB LYS 12 HB2 LYS 12 73.944 -3.302 -1.214 101 2HB LYS 12 HB1 LYS 12 72.921 -2.559 0.010 102 1HG LYS 12 HG2 LYS 12 72.136 -0.892 -1.543 103 2HG LYS 12 HG1 LYS 12 73.317 -1.393 -2.761 104 1HD LYS 12 HD2 LYS 12 72.220 -3.648 -2.805 105 2HD LYS 12 HD1 LYS 12 70.989 -3.021 -1.709 106 1HE LYS 12 HE2 LYS 12 70.329 -2.946 -4.143 107 2HE LYS 12 HE1 LYS 12 70.273 -1.382 -3.330 108 1HZ LYS 12 HZ1 LYS 12 72.838 -1.994 -4.475 109 2HZ LYS 12 HZ2 LYS 12 71.900 -0.582 -4.600 110 3HZ LYS 12 HZ3 LYS 12 71.598 -1.901 -5.629 111 H GLU 13 HN GLU 13 73.914 0.442 1.028 112 HA GLU 13 HA GLU 13 75.138 -0.723 3.499 113 1HB GLU 13 HB2 GLU 13 74.034 2.064 3.080 114 2HB GLU 13 HB1 GLU 13 75.009 1.498 4.433 115 1HG GLU 13 HG2 GLU 13 76.848 0.984 2.799 116 2HG GLU 13 HG1 GLU 13 75.883 1.764 1.547 117 H LYS 14 HN LYS 14 73.804 -0.587 5.460 118 HA LYS 14 HA LYS 14 70.936 -1.117 4.845 119 1HB LYS 14 HB2 LYS 14 72.083 -1.690 7.554 120 2HB LYS 14 HB1 LYS 14 70.920 -2.614 6.612 121 1HG LYS 14 HG2 LYS 14 73.901 -2.439 6.046 122 2HG LYS 14 HG1 LYS 14 73.091 -3.789 6.818 123 1HD LYS 14 HD2 LYS 14 72.239 -2.849 4.066 124 2HD LYS 14 HD1 LYS 14 73.588 -3.959 4.275 125 1HE LYS 14 HE2 LYS 14 70.727 -4.414 5.173 126 2HE LYS 14 HE1 LYS 14 71.582 -5.265 3.893 127 1HZ LYS 14 HZ1 LYS 14 71.639 -6.626 5.808 128 2HZ LYS 14 HZ2 LYS 14 72.156 -5.345 6.799 129 3HZ LYS 14 HZ3 LYS 14 73.199 -5.987 5.621 130 H MET 15 HN MET 15 69.576 0.471 5.260 131 HA MET 15 HA MET 15 70.294 2.863 6.659 132 1HB MET 15 HB2 MET 15 67.575 1.799 5.869 133 2HB MET 15 HB1 MET 15 67.907 3.448 6.385 134 1HG MET 15 HG2 MET 15 69.636 3.507 4.482 135 2HG MET 15 HG1 MET 15 68.841 2.052 3.883 136 1HE MET 15 HE1 MET 15 68.458 5.445 5.294 137 2HE MET 15 HE2 MET 15 67.171 6.254 4.404 138 3HE MET 15 HE3 MET 15 68.726 5.969 3.626 139 H LYS 16 HN LYS 16 69.454 3.634 8.636 140 HA LYS 16 HA LYS 16 69.756 2.519 10.974 141 1HB LYS 16 HB2 LYS 16 66.993 3.627 10.854 142 2HB LYS 16 HB1 LYS 16 68.323 4.040 11.930 143 1HG LYS 16 HG2 LYS 16 68.218 5.950 10.600 144 2HG LYS 16 HG1 LYS 16 69.423 5.007 9.734 145 1HD LYS 16 HD2 LYS 16 68.034 5.484 7.939 146 2HD LYS 16 HD1 LYS 16 67.203 4.038 8.514 147 1HE LYS 16 HE2 LYS 16 65.610 5.883 8.133 148 2HE LYS 16 HE1 LYS 16 65.667 5.440 9.840 149 1HZ LYS 16 HZ1 LYS 16 67.627 7.321 9.547 150 2HZ LYS 16 HZ2 LYS 16 66.092 7.568 10.231 151 3HZ LYS 16 HZ3 LYS 16 66.359 7.908 8.588 152 H GLY 17 HN GLY 17 66.412 2.105 9.807 153 1HA GLY 17 HA2 GLY 17 66.497 -0.731 10.770 154 2HA GLY 17 HA1 GLY 17 65.194 0.343 11.277 155 H LYS 18 HN LYS 18 65.662 1.504 8.341 156 HA LYS 18 HA LYS 18 63.360 0.274 7.209 157 1HB LYS 18 HB2 LYS 18 65.407 1.192 5.228 158 2HB LYS 18 HB1 LYS 18 63.700 1.603 5.359 159 1HG LYS 18 HG2 LYS 18 65.863 2.667 7.170 160 2HG LYS 18 HG1 LYS 18 65.188 3.537 5.812 161 1HD LYS 18 HD2 LYS 18 63.305 2.478 7.911 162 2HD LYS 18 HD1 LYS 18 64.237 3.921 8.265 163 1HE LYS 18 HE2 LYS 18 63.259 5.138 6.496 164 2HE LYS 18 HE1 LYS 18 62.683 3.678 5.693 165 1HZ LYS 18 HZ1 LYS 18 60.772 4.020 6.738 166 2HZ LYS 18 HZ2 LYS 18 61.432 5.235 7.725 167 3HZ LYS 18 HZ3 LYS 18 61.553 3.604 8.185 168 H ASN 19 HN ASN 19 63.077 -1.728 6.389 169 HA ASN 19 HA ASN 19 65.178 -3.664 6.281 170 1HB ASN 19 HB2 ASN 19 63.563 -5.007 4.953 171 2HB ASN 19 HB1 ASN 19 62.800 -4.306 6.378 172 1HD2 ASN 19 HD21 ASN 19 62.064 -4.899 3.264 173 2HD2 ASN 19 HD22 ASN 19 61.108 -3.545 2.901 174 H LYS 20 HN LYS 20 64.523 -1.001 4.445 175 HA LYS 20 HA LYS 20 65.209 -1.870 1.805 176 1HB LYS 20 HB2 LYS 20 64.309 0.480 3.001 177 2HB LYS 20 HB1 LYS 20 65.906 0.921 2.429 178 1HG LYS 20 HG2 LYS 20 64.543 1.399 0.582 179 2HG LYS 20 HG1 LYS 20 65.175 -0.194 0.201 180 1HD LYS 20 HD2 LYS 20 62.910 -0.551 -0.207 181 2HD LYS 20 HD1 LYS 20 62.998 -1.026 1.488 182 1HE LYS 20 HE2 LYS 20 61.095 0.475 1.153 183 2HE LYS 20 HE1 LYS 20 62.311 1.287 2.135 184 1HZ LYS 20 HZ1 LYS 20 62.759 2.762 0.521 185 2HZ LYS 20 HZ2 LYS 20 61.211 2.350 -0.047 186 3HZ LYS 20 HZ3 LYS 20 62.590 1.628 -0.729 187 H LEU 21 HN LEU 21 67.181 -0.477 0.829 188 HA LEU 21 HA LEU 21 69.638 -0.840 2.476 189 1HB LEU 21 HB2 LEU 21 69.491 -1.781 -0.407 190 2HB LEU 21 HB1 LEU 21 70.807 -2.009 0.732 191 HG LEU 21 HG LEU 21 68.062 -3.174 1.232 192 1HD1 LEU 21 HD11 LEU 21 68.993 -3.997 -0.947 193 2HD1 LEU 21 HD12 LEU 21 68.819 -5.259 0.272 194 3HD1 LEU 21 HD13 LEU 21 70.408 -4.575 -0.065 195 1HD2 LEU 21 HD21 LEU 21 69.533 -3.066 3.176 196 2HD2 LEU 21 HD22 LEU 21 70.852 -3.779 2.251 197 3HD2 LEU 21 HD23 LEU 21 69.426 -4.740 2.635 198 H VAL 22 HN VAL 22 71.455 0.447 1.559 199 HA VAL 22 HA VAL 22 70.465 2.665 -0.223 200 HB VAL 22 HB VAL 22 71.918 2.681 2.376 201 1HG1 VAL 22 HG11 VAL 22 72.763 5.057 1.747 202 2HG1 VAL 22 HG12 VAL 22 72.609 4.518 0.076 203 3HG1 VAL 22 HG13 VAL 22 73.702 3.680 1.175 204 1HG2 VAL 22 HG21 VAL 22 69.549 3.421 2.059 205 2HG2 VAL 22 HG22 VAL 22 70.131 4.720 1.020 206 3HG2 VAL 22 HG23 VAL 22 70.586 4.684 2.722 207 HA PRO 23 HA PRO 23 73.871 0.896 -2.728 208 1HB PRO 23 HB2 PRO 23 73.362 3.234 -4.474 209 2HB PRO 23 HB1 PRO 23 73.314 1.526 -4.885 210 1HG PRO 23 HG2 PRO 23 71.068 3.133 -4.627 211 2HG PRO 23 HG1 PRO 23 71.050 1.373 -4.426 212 1HD PRO 23 HD2 PRO 23 70.832 3.481 -2.351 213 2HD PRO 23 HD1 PRO 23 70.348 1.770 -2.278 214 H ARG 24 HN ARG 24 76.040 1.528 -2.994 215 HA ARG 24 HA ARG 24 76.858 4.313 -2.514 216 1HB ARG 24 HB2 ARG 24 76.559 3.287 -0.213 217 2HB ARG 24 HB1 ARG 24 77.814 2.134 -0.634 218 1HG ARG 24 HG2 ARG 24 79.081 3.768 0.437 219 2HG ARG 24 HG1 ARG 24 79.209 4.304 -1.236 220 1HD ARG 24 HD2 ARG 24 78.590 6.290 -0.183 221 2HD ARG 24 HD1 ARG 24 77.005 5.660 -0.628 222 HE ARG 24 HE ARG 24 77.454 4.598 1.889 223 1HH1 ARG 24 HH21 ARG 24 77.500 7.720 0.432 224 2HH1 ARG 24 HH22 ARG 24 77.037 8.550 1.880 225 1HH2 ARG 24 HH11 ARG 24 76.851 5.661 3.790 226 2HH2 ARG 24 HH12 ARG 24 76.670 7.383 3.783 227 H LEU 25 HN LEU 25 79.010 4.657 -3.288 228 HA LEU 25 HA LEU 25 80.148 2.346 -4.819 229 1HB LEU 25 HB2 LEU 25 80.377 5.342 -5.139 230 2HB LEU 25 HB1 LEU 25 81.407 4.216 -6.019 231 HG LEU 25 HG LEU 25 78.379 4.151 -6.057 232 1HD1 LEU 25 HD11 LEU 25 78.481 5.264 -8.205 233 2HD1 LEU 25 HD12 LEU 25 80.244 5.229 -8.190 234 3HD1 LEU 25 HD13 LEU 25 79.373 6.246 -7.044 235 1HD2 LEU 25 HD21 LEU 25 78.944 2.044 -6.794 236 2HD2 LEU 25 HD22 LEU 25 80.535 2.530 -7.359 237 3HD2 LEU 25 HD23 LEU 25 79.107 2.893 -8.324 238 H LEU 26 HN LEU 26 82.268 1.724 -4.396 239 HA LEU 26 HA LEU 26 83.675 3.129 -2.146 240 1HB LEU 26 HB2 LEU 26 82.759 1.073 -1.301 241 2HB LEU 26 HB1 LEU 26 83.320 0.175 -2.706 242 HG LEU 26 HG LEU 26 85.617 0.422 -2.046 243 1HD1 LEU 26 HD11 LEU 26 86.048 1.642 0.211 244 2HD1 LEU 26 HD12 LEU 26 84.485 2.404 -0.070 245 3HD1 LEU 26 HD13 LEU 26 85.796 2.628 -1.228 246 1HD2 LEU 26 HD21 LEU 26 85.618 -0.818 0.010 247 2HD2 LEU 26 HD22 LEU 26 84.146 -1.272 -0.847 248 3HD2 LEU 26 HD23 LEU 26 84.068 -0.131 0.495 249 H GLY 27 HN GLY 27 85.334 4.129 -3.108 250 1HA GLY 27 HA2 GLY 27 86.749 3.000 -5.397 251 2HA GLY 27 HA1 GLY 27 87.046 4.563 -4.679 252 H ILE 28 HN ILE 28 88.579 1.849 -5.302 253 HA ILE 28 HA ILE 28 90.093 1.751 -2.707 254 HB ILE 28 HB ILE 28 90.132 -0.312 -4.938 255 1HG1 ILE 28 HG12 ILE 28 87.868 -0.294 -4.102 256 2HG1 ILE 28 HG11 ILE 28 88.688 -1.669 -3.367 257 1HG2 ILE 28 HG21 ILE 28 91.032 -0.348 -2.046 258 2HG2 ILE 28 HG22 ILE 28 92.073 -0.351 -3.468 259 3HG2 ILE 28 HG23 ILE 28 91.050 -1.745 -3.121 260 1HD1 ILE 28 HD11 ILE 28 87.883 0.937 -2.116 261 2HD1 ILE 28 HD12 ILE 28 89.216 0.017 -1.429 262 3HD1 ILE 28 HD13 ILE 28 87.612 -0.701 -1.535 263 H THR 29 HN THR 29 91.882 3.053 -2.909 264 HA THR 29 HA THR 29 93.078 3.463 -5.585 265 HB THR 29 HB THR 29 94.316 4.680 -3.143 266 HG1 THR 29 HG1 THR 29 92.626 6.102 -2.903 267 1HG2 THR 29 HG21 THR 29 95.071 5.307 -5.398 268 2HG2 THR 29 HG22 THR 29 94.299 6.681 -4.611 269 3HG2 THR 29 HG23 THR 29 93.425 5.762 -5.836 270 H LYS 30 HN LYS 30 95.675 3.621 -5.348 271 HA LYS 30 HA LYS 30 96.525 0.888 -4.780 272 1HB LYS 30 HB2 LYS 30 98.817 1.966 -5.471 273 2HB LYS 30 HB1 LYS 30 97.562 1.765 -6.694 274 1HG LYS 30 HG2 LYS 30 96.909 4.042 -6.560 275 2HG LYS 30 HG1 LYS 30 97.803 4.297 -5.061 276 1HD LYS 30 HD2 LYS 30 99.926 3.987 -6.249 277 2HD LYS 30 HD1 LYS 30 99.058 3.660 -7.749 278 1HE LYS 30 HE2 LYS 30 99.605 5.938 -7.946 279 2HE LYS 30 HE1 LYS 30 97.947 5.985 -7.348 280 1HZ LYS 30 HZ1 LYS 30 99.169 5.943 -5.050 281 2HZ LYS 30 HZ2 LYS 30 98.956 7.400 -5.898 282 3HZ LYS 30 HZ3 LYS 30 100.450 6.593 -5.951 283 H GLU 31 HN GLU 31 96.280 3.732 -2.975 284 HA GLU 31 HA GLU 31 97.964 2.553 -0.831 285 1HB GLU 31 HB2 GLU 31 98.242 5.402 -1.815 286 2HB GLU 31 HB1 GLU 31 99.093 4.700 -0.443 287 1HG GLU 31 HG2 GLU 31 99.954 2.944 -2.099 288 2HG GLU 31 HG1 GLU 31 99.382 4.025 -3.360 289 H CYS 32 HN CYS 32 95.008 3.547 -1.615 290 HA CYS 32 HA CYS 32 94.318 4.137 1.148 291 1HB CYS 32 HB2 CYS 32 93.167 6.414 0.089 292 2HB CYS 32 HB1 CYS 32 94.687 6.399 0.964 293 HG CYS 32 HG CYS 32 95.794 7.109 -1.120 294 H VAL 33 HN VAL 33 91.990 4.390 1.441 295 HA VAL 33 HA VAL 33 90.349 3.282 -0.823 296 HB VAL 33 HB VAL 33 90.118 2.773 2.167 297 1HG1 VAL 33 HG11 VAL 33 87.891 2.896 1.362 298 2HG1 VAL 33 HG12 VAL 33 88.279 1.175 1.349 299 3HG1 VAL 33 HG13 VAL 33 88.313 2.099 -0.152 300 1HG2 VAL 33 HG21 VAL 33 90.379 0.364 1.319 301 2HG2 VAL 33 HG22 VAL 33 91.824 1.375 1.286 302 3HG2 VAL 33 HG23 VAL 33 90.921 1.079 -0.199 303 H MET 34 HN MET 34 88.330 4.402 -1.134 304 HA MET 34 HA MET 34 87.835 6.685 0.756 305 1HB MET 34 HB2 MET 34 87.164 7.979 -1.380 306 2HB MET 34 HB1 MET 34 88.880 7.772 -1.051 307 1HG MET 34 HG2 MET 34 87.455 5.704 -2.698 308 2HG MET 34 HG1 MET 34 87.933 7.220 -3.450 309 1HE MET 34 HE1 MET 34 89.974 8.292 -3.193 310 2HE MET 34 HE2 MET 34 91.468 7.473 -3.636 311 3HE MET 34 HE3 MET 34 91.108 7.774 -1.939 312 H ARG 35 HN ARG 35 85.733 7.455 0.891 313 HA ARG 35 HA ARG 35 83.698 5.374 0.227 314 1HB ARG 35 HB2 ARG 35 83.613 7.910 1.883 315 2HB ARG 35 HB1 ARG 35 82.198 6.916 1.574 316 1HG ARG 35 HG2 ARG 35 83.476 4.951 2.530 317 2HG ARG 35 HG1 ARG 35 84.731 6.091 3.020 318 1HD ARG 35 HD2 ARG 35 81.872 5.935 3.978 319 2HD ARG 35 HD1 ARG 35 83.351 5.875 4.935 320 HE ARG 35 HE ARG 35 83.428 8.371 3.713 321 1HH1 ARG 35 HH21 ARG 35 81.204 6.582 5.648 322 2HH1 ARG 35 HH22 ARG 35 80.524 7.986 6.402 323 1HH2 ARG 35 HH11 ARG 35 82.555 10.214 4.690 324 2HH2 ARG 35 HH12 ARG 35 81.289 10.042 5.859 325 H VAL 36 HN VAL 36 82.266 5.670 -1.438 326 HA VAL 36 HA VAL 36 82.065 8.390 -2.663 327 HB VAL 36 HB VAL 36 82.347 5.790 -4.182 328 1HG1 VAL 36 HG11 VAL 36 81.042 7.625 -5.291 329 2HG1 VAL 36 HG12 VAL 36 82.534 7.226 -6.142 330 3HG1 VAL 36 HG13 VAL 36 82.455 8.668 -5.131 331 1HG2 VAL 36 HG21 VAL 36 84.578 6.868 -4.851 332 2HG2 VAL 36 HG22 VAL 36 84.479 6.199 -3.223 333 3HG2 VAL 36 HG23 VAL 36 84.343 7.937 -3.470 334 H ASP 37 HN ASP 37 79.986 9.000 -2.852 335 HA ASP 37 HA ASP 37 77.825 7.174 -2.214 336 1HB ASP 37 HB2 ASP 37 77.899 9.717 -1.809 337 2HB ASP 37 HB1 ASP 37 77.520 9.886 -3.521 338 H GLU 38 HN GLU 38 76.229 6.383 -3.629 339 HA GLU 38 HA GLU 38 77.123 6.049 -6.430 340 1HB GLU 38 HB2 GLU 38 76.232 4.191 -4.862 341 2HB GLU 38 HB1 GLU 38 74.655 4.909 -5.139 342 1HG GLU 38 HG2 GLU 38 76.475 4.022 -7.383 343 2HG GLU 38 HG1 GLU 38 75.236 2.993 -6.668 344 H LYS 39 HN LYS 39 74.916 7.728 -4.493 345 HA LYS 39 HA LYS 39 72.963 8.419 -6.481 346 1HB LYS 39 HB2 LYS 39 72.513 8.493 -4.074 347 2HB LYS 39 HB1 LYS 39 73.735 9.738 -3.881 348 1HG LYS 39 HG2 LYS 39 72.479 11.287 -5.257 349 2HG LYS 39 HG1 LYS 39 71.298 10.042 -5.657 350 1HD LYS 39 HD2 LYS 39 71.788 10.738 -2.764 351 2HD LYS 39 HD1 LYS 39 70.775 11.792 -3.745 352 1HE LYS 39 HE2 LYS 39 70.339 8.822 -3.301 353 2HE LYS 39 HE1 LYS 39 69.386 10.128 -2.602 354 1HZ LYS 39 HZ1 LYS 39 69.207 8.952 -5.189 355 2HZ LYS 39 HZ2 LYS 39 69.414 10.635 -5.293 356 3HZ LYS 39 HZ3 LYS 39 68.121 9.989 -4.401 357 H THR 40 HN THR 40 75.659 10.200 -4.995 358 HA THR 40 HA THR 40 75.514 12.211 -7.197 359 HB THR 40 HB THR 40 77.088 13.497 -5.686 360 HG1 THR 40 HG1 THR 40 77.496 12.710 -3.715 361 1HG2 THR 40 HG21 THR 40 74.465 12.685 -4.411 362 2HG2 THR 40 HG22 THR 40 74.597 13.812 -5.761 363 3HG2 THR 40 HG23 THR 40 75.319 14.214 -4.203 364 H LYS 41 HN LYS 41 77.213 9.381 -6.484 365 HA LYS 41 HA LYS 41 79.296 8.569 -7.257 366 1HB LYS 41 HB2 LYS 41 79.011 10.711 -9.370 367 2HB LYS 41 HB1 LYS 41 79.845 9.162 -9.509 368 1HG LYS 41 HG2 LYS 41 77.627 8.029 -9.101 369 2HG LYS 41 HG1 LYS 41 76.863 9.613 -9.231 370 1HD LYS 41 HD2 LYS 41 78.519 8.241 -11.369 371 2HD LYS 41 HD1 LYS 41 76.772 8.473 -11.393 372 1HE LYS 41 HE2 LYS 41 78.952 10.527 -11.699 373 2HE LYS 41 HE1 LYS 41 77.541 10.250 -12.719 374 1HZ LYS 41 HZ1 LYS 41 76.331 10.837 -10.459 375 2HZ LYS 41 HZ2 LYS 41 76.798 12.031 -11.572 376 3HZ LYS 41 HZ3 LYS 41 77.759 11.715 -10.208 377 H GLU 42 HN GLU 42 79.157 10.998 -5.427 378 HA GLU 42 HA GLU 42 81.716 12.357 -6.135 379 1HB GLU 42 HB2 GLU 42 79.282 13.199 -4.898 380 2HB GLU 42 HB1 GLU 42 80.534 13.335 -3.673 381 1HG GLU 42 HG2 GLU 42 80.399 15.423 -4.911 382 2HG GLU 42 HG1 GLU 42 81.915 14.621 -5.305 383 H VAL 43 HN VAL 43 83.296 12.647 -4.313 384 HA VAL 43 HA VAL 43 83.661 10.080 -2.891 385 HB VAL 43 HB VAL 43 85.419 12.531 -3.187 386 1HG1 VAL 43 HG11 VAL 43 85.817 9.964 -1.635 387 2HG1 VAL 43 HG12 VAL 43 85.965 11.620 -1.046 388 3HG1 VAL 43 HG13 VAL 43 87.169 10.969 -2.159 389 1HG2 VAL 43 HG21 VAL 43 86.747 11.121 -4.617 390 2HG2 VAL 43 HG22 VAL 43 85.076 10.974 -5.158 391 3HG2 VAL 43 HG23 VAL 43 85.803 9.697 -4.183 392 H ILE 44 HN ILE 44 82.990 9.820 -0.824 393 HA ILE 44 HA ILE 44 82.212 12.222 0.725 394 HB ILE 44 HB ILE 44 81.799 9.324 1.464 395 1HG1 ILE 44 HG12 ILE 44 80.734 9.637 -0.684 396 2HG1 ILE 44 HG11 ILE 44 79.473 9.699 0.545 397 1HG2 ILE 44 HG21 ILE 44 80.001 10.267 2.854 398 2HG2 ILE 44 HG22 ILE 44 80.403 11.886 2.280 399 3HG2 ILE 44 HG23 ILE 44 81.555 10.989 3.268 400 1HD1 ILE 44 HD11 ILE 44 79.874 12.274 0.502 401 2HD1 ILE 44 HD12 ILE 44 78.978 11.546 -0.829 402 3HD1 ILE 44 HD13 ILE 44 80.678 11.963 -1.036 403 H GLN 45 HN GLN 45 84.629 9.659 0.732 404 HA GLN 45 HA GLN 45 86.092 11.143 2.788 405 1HB GLN 45 HB2 GLN 45 84.481 9.771 4.119 406 2HB GLN 45 HB1 GLN 45 85.217 8.323 3.441 407 1HG GLN 45 HG2 GLN 45 87.272 8.695 4.516 408 2HG GLN 45 HG1 GLN 45 86.905 10.392 4.833 409 1HE2 GLN 45 HE21 GLN 45 84.133 8.576 5.417 410 2HE2 GLN 45 HE22 GLN 45 84.303 8.389 7.093 411 H GLU 46 HN GLU 46 88.144 10.102 3.318 412 HA GLU 46 HA GLU 46 89.262 8.346 1.186 413 1HB GLU 46 HB2 GLU 46 90.168 11.051 2.111 414 2HB GLU 46 HB1 GLU 46 91.404 9.875 1.663 415 1HG GLU 46 HG2 GLU 46 90.301 9.566 -0.531 416 2HG GLU 46 HG1 GLU 46 89.097 10.779 -0.091 417 H TRP 47 HN TRP 47 90.767 6.831 1.964 418 HA TRP 47 HA TRP 47 91.538 6.974 4.842 419 1HB TRP 47 HB2 TRP 47 90.147 4.681 3.459 420 2HB TRP 47 HB1 TRP 47 91.023 4.484 4.969 421 HD1 TRP 47 HD1 TRP 47 87.960 6.234 3.477 422 HE1 TRP 47 HE1 TRP 47 86.360 6.873 5.394 423 HE3 TRP 47 HE3 TRP 47 90.852 4.994 7.504 424 HZ2 TRP 47 HZ2 TRP 47 86.306 6.863 8.237 425 HZ3 TRP 47 HZ3 TRP 47 89.997 5.323 9.808 426 HH2 TRP 47 HH2 TRP 47 87.729 6.256 10.180 427 H SER 48 HN SER 48 93.442 5.687 5.320 428 HA SER 48 HA SER 48 95.211 5.388 2.969 429 1HB SER 48 HB2 SER 48 96.989 5.377 4.489 430 2HB SER 48 HB1 SER 48 95.812 6.385 5.324 431 HG SER 48 HG SER 48 96.875 4.482 6.450 432 H LEU 49 HN LEU 49 96.334 3.359 2.528 433 HA LEU 49 HA LEU 49 94.623 1.029 3.015 434 1HB LEU 49 HB2 LEU 49 96.811 1.774 1.180 435 2HB LEU 49 HB1 LEU 49 96.950 0.110 1.738 436 HG LEU 49 HG LEU 49 94.320 1.182 0.709 437 1HD1 LEU 49 HD11 LEU 49 96.687 0.164 -0.867 438 2HD1 LEU 49 HD12 LEU 49 95.723 1.613 -1.151 439 3HD1 LEU 49 HD13 LEU 49 95.041 0.023 -1.484 440 1HD2 LEU 49 HD21 LEU 49 93.767 -1.111 0.442 441 2HD2 LEU 49 HD22 LEU 49 94.623 -1.052 1.981 442 3HD2 LEU 49 HD23 LEU 49 95.453 -1.616 0.533 443 H THR 50 HN THR 50 97.375 2.473 4.476 444 HA THR 50 HA THR 50 98.320 -0.023 5.720 445 HB THR 50 HB THR 50 99.938 1.501 6.868 446 HG1 THR 50 HG1 THR 50 98.818 3.380 6.995 447 1HG2 THR 50 HG21 THR 50 99.695 1.859 3.868 448 2HG2 THR 50 HG22 THR 50 100.492 0.515 4.687 449 3HG2 THR 50 HG23 THR 50 101.155 2.145 4.815 450 H ASN 51 HN ASN 51 95.872 2.227 6.315 451 HA ASN 51 HA ASN 51 96.048 2.072 9.258 452 1HB ASN 51 HB2 ASN 51 93.949 3.416 9.193 453 2HB ASN 51 HB1 ASN 51 95.254 4.157 8.278 454 1HD2 ASN 51 HD21 ASN 51 92.949 1.509 7.388 455 2HD2 ASN 51 HD22 ASN 51 92.388 2.290 5.993 456 H ILE 52 HN ILE 52 94.552 0.333 6.674 457 HA ILE 52 HA ILE 52 92.314 -0.746 8.128 458 HB ILE 52 HB ILE 52 93.848 -2.048 5.858 459 1HG1 ILE 52 HG12 ILE 52 91.487 -0.143 5.724 460 2HG1 ILE 52 HG11 ILE 52 93.152 0.313 5.364 461 1HG2 ILE 52 HG21 ILE 52 92.253 -3.534 6.971 462 2HG2 ILE 52 HG22 ILE 52 91.622 -3.072 5.391 463 3HG2 ILE 52 HG23 ILE 52 90.992 -2.307 6.850 464 1HD1 ILE 52 HD11 ILE 52 93.123 -1.644 3.673 465 2HD1 ILE 52 HD12 ILE 52 92.222 -0.190 3.246 466 3HD1 ILE 52 HD13 ILE 52 91.371 -1.605 3.862 467 H LYS 53 HN LYS 53 92.310 -2.286 9.704 468 HA LYS 53 HA LYS 53 94.880 -3.593 10.408 469 1HB LYS 53 HB2 LYS 53 93.498 -2.492 12.172 470 2HB LYS 53 HB1 LYS 53 92.211 -3.655 11.850 471 1HG LYS 53 HG2 LYS 53 93.753 -5.508 12.413 472 2HG LYS 53 HG1 LYS 53 95.022 -4.336 12.763 473 1HD LYS 53 HD2 LYS 53 93.865 -3.477 14.646 474 2HD LYS 53 HD1 LYS 53 92.345 -4.229 14.158 475 1HE LYS 53 HE2 LYS 53 93.427 -5.468 16.021 476 2HE LYS 53 HE1 LYS 53 93.286 -6.455 14.570 477 1HZ LYS 53 HZ1 LYS 53 95.500 -6.520 15.698 478 2HZ LYS 53 HZ2 LYS 53 95.716 -4.897 15.242 479 3HZ LYS 53 HZ3 LYS 53 95.549 -6.101 14.055 480 H ARG 54 HN ARG 54 91.476 -4.577 9.833 481 HA ARG 54 HA ARG 54 92.441 -7.059 8.548 482 1HB ARG 54 HB2 ARG 54 90.916 -8.435 10.052 483 2HB ARG 54 HB1 ARG 54 92.374 -7.821 10.831 484 1HG ARG 54 HG2 ARG 54 91.208 -6.188 12.042 485 2HG ARG 54 HG1 ARG 54 89.854 -6.179 10.920 486 1HD ARG 54 HD2 ARG 54 88.942 -8.156 11.794 487 2HD ARG 54 HD1 ARG 54 90.465 -8.645 12.540 488 HE ARG 54 HE ARG 54 89.763 -6.223 13.778 489 1HH1 ARG 54 HH21 ARG 54 88.375 -9.340 13.269 490 2HH1 ARG 54 HH22 ARG 54 87.443 -9.309 14.728 491 1HH2 ARG 54 HH11 ARG 54 88.559 -6.170 15.688 492 2HH2 ARG 54 HH12 ARG 54 87.547 -7.515 16.098 493 H TRP 55 HN TRP 55 90.351 -8.416 7.986 494 HA TRP 55 HA TRP 55 87.931 -6.827 7.620 495 1HB TRP 55 HB2 TRP 55 87.946 -7.108 5.112 496 2HB TRP 55 HB1 TRP 55 89.152 -5.971 5.714 497 HD1 TRP 55 HD1 TRP 55 88.884 -9.681 4.683 498 HE1 TRP 55 HE1 TRP 55 91.172 -10.424 3.747 499 HE3 TRP 55 HE3 TRP 55 91.575 -5.418 5.462 500 HZ2 TRP 55 HZ2 TRP 55 93.795 -9.340 3.369 501 HZ3 TRP 55 HZ3 TRP 55 93.956 -5.293 4.802 502 HH2 TRP 55 HH2 TRP 55 95.073 -7.251 3.758 503 H ALA 56 HN ALA 56 86.318 -8.154 6.281 504 HA ALA 56 HA ALA 56 86.828 -11.075 6.389 505 1HB ALA 56 HB1 ALA 56 85.905 -10.726 8.583 506 2HB ALA 56 HB2 ALA 56 84.595 -11.366 7.588 507 3HB ALA 56 HB3 ALA 56 84.661 -9.643 7.957 508 H ALA 57 HN ALA 57 86.261 -11.662 4.347 509 HA ALA 57 HA ALA 57 84.138 -10.128 2.930 510 1HB ALA 57 HB1 ALA 57 85.097 -10.891 0.928 511 2HB ALA 57 HB2 ALA 57 85.854 -12.283 1.706 512 3HB ALA 57 HB3 ALA 57 86.492 -10.664 1.980 513 H SER 58 HN SER 58 82.126 -10.943 2.995 514 HA SER 58 HA SER 58 81.747 -13.860 3.399 515 1HB SER 58 HB2 SER 58 80.298 -11.442 4.185 516 2HB SER 58 HB1 SER 58 79.227 -12.623 3.443 517 HG SER 58 HG SER 58 80.351 -12.639 5.874 518 HA PRO 59 HA PRO 59 80.503 -14.541 -0.762 519 1HB PRO 59 HB2 PRO 59 77.971 -15.801 -0.328 520 2HB PRO 59 HB1 PRO 59 79.536 -16.605 -0.502 521 1HG PRO 59 HG2 PRO 59 77.962 -16.122 1.955 522 2HG PRO 59 HG1 PRO 59 79.286 -17.267 1.687 523 1HD PRO 59 HD2 PRO 59 79.471 -14.890 3.176 524 2HD PRO 59 HD1 PRO 59 80.848 -15.805 2.532 525 H LYS 60 HN LYS 60 78.970 -12.344 1.201 526 HA LYS 60 HA LYS 60 77.447 -11.230 -1.093 527 1HB LYS 60 HB2 LYS 60 75.437 -10.946 0.285 528 2HB LYS 60 HB1 LYS 60 75.865 -12.648 0.155 529 1HG LYS 60 HG2 LYS 60 77.196 -12.262 2.354 530 2HG LYS 60 HG1 LYS 60 76.220 -10.805 2.501 531 1HD LYS 60 HD2 LYS 60 74.183 -12.304 2.154 532 2HD LYS 60 HD1 LYS 60 75.279 -13.666 2.391 533 1HE LYS 60 HE2 LYS 60 74.366 -13.216 4.546 534 2HE LYS 60 HE1 LYS 60 75.990 -12.530 4.571 535 1HZ LYS 60 HZ1 LYS 60 73.680 -11.207 5.153 536 2HZ LYS 60 HZ2 LYS 60 74.040 -10.691 3.575 537 3HZ LYS 60 HZ3 LYS 60 75.180 -10.490 4.818 538 H SER 61 HN SER 61 78.919 -10.809 2.063 539 HA SER 61 HA SER 61 78.735 -7.826 1.695 540 1HB SER 61 HB2 SER 61 78.705 -7.671 4.177 541 2HB SER 61 HB1 SER 61 77.299 -8.509 3.529 542 HG SER 61 HG SER 61 77.892 -10.138 4.699 543 H PHE 62 HN PHE 62 80.398 -6.676 3.060 544 HA PHE 62 HA PHE 62 82.980 -8.133 3.327 545 1HB PHE 62 HB2 PHE 62 83.064 -7.162 1.082 546 2HB PHE 62 HB1 PHE 62 82.576 -5.592 1.719 547 HD1 PHE 62 HD1 PHE 62 85.216 -8.219 2.129 548 HD2 PHE 62 HD2 PHE 62 84.219 -4.051 2.405 549 HE1 PHE 62 HE1 PHE 62 87.585 -7.687 2.626 550 HE2 PHE 62 HE2 PHE 62 86.590 -3.518 2.901 551 HZ PHE 62 HZ PHE 62 88.273 -5.336 3.012 552 H THR 63 HN THR 63 84.237 -7.297 5.025 553 HA THR 63 HA THR 63 83.249 -4.799 6.365 554 HB THR 63 HB THR 63 83.802 -7.493 7.629 555 HG1 THR 63 HG1 THR 63 81.622 -6.443 8.523 556 1HG2 THR 63 HG21 THR 63 83.211 -6.175 9.777 557 2HG2 THR 63 HG22 THR 63 83.647 -4.740 8.850 558 3HG2 THR 63 HG23 THR 63 84.845 -6.005 9.133 559 H LEU 64 HN LEU 64 84.845 -3.562 7.343 560 HA LEU 64 HA LEU 64 87.645 -4.592 7.275 561 1HB LEU 64 HB2 LEU 64 88.444 -2.435 6.384 562 2HB LEU 64 HB1 LEU 64 87.416 -3.288 5.244 563 HG LEU 64 HG LEU 64 85.513 -1.813 6.512 564 1HD1 LEU 64 HD11 LEU 64 86.954 -0.571 7.986 565 2HD1 LEU 64 HD12 LEU 64 86.489 0.535 6.697 566 3HD1 LEU 64 HD13 LEU 64 88.084 -0.204 6.682 567 1HD2 LEU 64 HD21 LEU 64 87.278 -1.100 4.163 568 2HD2 LEU 64 HD22 LEU 64 85.906 -0.091 4.621 569 3HD2 LEU 64 HD23 LEU 64 85.646 -1.768 4.145 570 H ASP 65 HN ASP 65 89.057 -3.461 8.759 571 HA ASP 65 HA ASP 65 87.602 -1.912 10.888 572 1HB ASP 65 HB2 ASP 65 89.796 -3.917 11.447 573 2HB ASP 65 HB1 ASP 65 88.702 -3.157 12.599 574 H PHE 66 HN PHE 66 88.578 -0.032 11.381 575 HA PHE 66 HA PHE 66 91.255 0.541 10.237 576 1HB PHE 66 HB2 PHE 66 89.191 2.286 11.621 577 2HB PHE 66 HB1 PHE 66 90.737 2.877 11.010 578 HD1 PHE 66 HD1 PHE 66 91.268 2.106 8.498 579 HD2 PHE 66 HD2 PHE 66 87.339 2.468 10.194 580 HE1 PHE 66 HE1 PHE 66 90.306 2.316 6.222 581 HE2 PHE 66 HE2 PHE 66 86.377 2.679 7.919 582 HZ PHE 66 HZ PHE 66 87.860 2.603 5.933 583 H GLY 67 HN GLY 67 89.977 -0.684 13.052 584 1HA GLY 67 HA2 GLY 67 91.121 -1.232 15.055 585 2HA GLY 67 HA1 GLY 67 92.494 -0.274 14.495 586 H ASP 68 HN ASP 68 89.981 1.718 13.991 587 HA ASP 68 HA ASP 68 90.525 3.227 16.456 588 1HB ASP 68 HB2 ASP 68 88.522 4.015 14.359 589 2HB ASP 68 HB1 ASP 68 89.511 5.049 15.382 590 H TYR 69 HN TYR 69 89.518 1.954 18.071 591 HA TYR 69 HA TYR 69 87.061 0.718 18.139 592 1HB TYR 69 HB2 TYR 69 88.538 0.703 20.064 593 2HB TYR 69 HB1 TYR 69 88.326 2.439 20.286 594 HD1 TYR 69 HD1 TYR 69 86.479 3.306 21.502 595 HD2 TYR 69 HD2 TYR 69 86.524 -0.817 20.308 596 HE1 TYR 69 HE1 TYR 69 84.483 2.877 22.913 597 HE2 TYR 69 HE2 TYR 69 84.528 -1.249 21.717 598 HH TYR 69 HH TYR 69 83.568 0.405 24.093 599 H GLN 70 HN GLN 70 87.646 4.188 18.587 600 HA GLN 70 HA GLN 70 84.993 4.966 19.180 601 1HB GLN 70 HB2 GLN 70 85.676 7.202 18.287 602 2HB GLN 70 HB1 GLN 70 86.824 6.529 19.434 603 1HG GLN 70 HG2 GLN 70 88.036 5.590 17.349 604 2HG GLN 70 HG1 GLN 70 87.065 6.745 16.447 605 1HE2 GLN 70 HE21 GLN 70 87.031 8.978 18.087 606 2HE2 GLN 70 HE22 GLN 70 88.611 9.545 18.342 607 H ASP 71 HN ASP 71 86.603 4.931 15.981 608 HA ASP 71 HA ASP 71 84.244 5.659 14.546 609 1HB ASP 71 HB2 ASP 71 86.737 5.652 13.797 610 2HB ASP 71 HB1 ASP 71 86.430 3.978 13.355 611 H GLY 72 HN GLY 72 85.638 2.537 15.432 612 1HA GLY 72 HA2 GLY 72 84.444 0.499 15.732 613 2HA GLY 72 HA1 GLY 72 83.016 1.267 15.042 614 H TYR 73 HN TYR 73 83.166 -1.038 13.977 615 HA TYR 73 HA TYR 73 85.063 -1.221 11.745 616 1HB TYR 73 HB2 TYR 73 82.645 -2.958 12.277 617 2HB TYR 73 HB1 TYR 73 84.057 -3.362 11.309 618 HD1 TYR 73 HD1 TYR 73 86.371 -2.916 12.671 619 HD2 TYR 73 HD2 TYR 73 82.582 -3.936 14.403 620 HE1 TYR 73 HE1 TYR 73 87.532 -3.799 14.675 621 HE2 TYR 73 HE2 TYR 73 83.737 -4.819 16.413 622 HH TYR 73 HH TYR 73 86.442 -5.808 16.691 623 H TYR 74 HN TYR 74 84.176 -1.657 9.520 624 HA TYR 74 HA TYR 74 81.715 -0.083 8.910 625 1HB TYR 74 HB2 TYR 74 83.687 1.309 8.415 626 2HB TYR 74 HB1 TYR 74 84.362 0.003 7.449 627 HD1 TYR 74 HD1 TYR 74 81.536 2.407 7.679 628 HD2 TYR 74 HD2 TYR 74 83.660 -0.387 5.202 629 HE1 TYR 74 HE1 TYR 74 80.281 3.208 5.697 630 HE2 TYR 74 HE2 TYR 74 82.406 0.414 3.219 631 HH TYR 74 HH TYR 74 81.180 2.381 2.494 632 H SER 75 HN SER 75 80.388 -1.660 8.185 633 HA SER 75 HA SER 75 81.414 -3.580 6.138 634 1HB SER 75 HB2 SER 75 80.949 -4.630 8.381 635 2HB SER 75 HB1 SER 75 79.267 -4.152 8.188 636 HG SER 75 HG SER 75 79.012 -5.776 6.888 637 H VAL 76 HN VAL 76 80.068 -4.063 4.441 638 HA VAL 76 HA VAL 76 77.381 -2.818 4.302 639 HB VAL 76 HB VAL 76 77.943 -1.784 2.081 640 1HG1 VAL 76 HG11 VAL 76 79.025 0.173 3.011 641 2HG1 VAL 76 HG12 VAL 76 79.699 -0.772 4.338 642 3HG1 VAL 76 HG13 VAL 76 77.960 -0.495 4.248 643 1HG2 VAL 76 HG21 VAL 76 79.927 -3.181 1.598 644 2HG2 VAL 76 HG22 VAL 76 80.784 -2.428 2.940 645 3HG2 VAL 76 HG23 VAL 76 80.330 -1.466 1.533 646 H GLN 77 HN GLN 77 76.343 -3.526 2.122 647 HA GLN 77 HA GLN 77 76.782 -6.395 1.855 648 1HB GLN 77 HB2 GLN 77 74.857 -4.391 0.684 649 2HB GLN 77 HB1 GLN 77 74.958 -6.012 0.001 650 1HG GLN 77 HG2 GLN 77 74.654 -5.660 2.983 651 2HG GLN 77 HG1 GLN 77 73.244 -5.533 1.936 652 1HE2 GLN 77 HE21 GLN 77 73.430 -7.498 0.108 653 2HE2 GLN 77 HE22 GLN 77 73.644 -9.024 0.818 654 H THR 78 HN THR 78 77.839 -7.425 0.187 655 HA THR 78 HA THR 78 78.570 -5.936 -2.258 656 HB THR 78 HB THR 78 80.931 -6.368 -2.063 657 HG1 THR 78 HG1 THR 78 80.128 -8.224 -0.401 658 1HG2 THR 78 HG21 THR 78 81.519 -4.913 -0.243 659 2HG2 THR 78 HG22 THR 78 80.030 -5.301 0.620 660 3HG2 THR 78 HG23 THR 78 79.970 -4.363 -0.868 661 H THR 79 HN THR 79 77.869 -7.342 -3.764 662 HA THR 79 HA THR 79 77.624 -10.177 -3.347 663 HB THR 79 HB THR 79 77.864 -8.738 -6.001 664 HG1 THR 79 HG1 THR 79 75.351 -9.186 -5.315 665 1HG2 THR 79 HG21 THR 79 76.562 -10.574 -6.863 666 2HG2 THR 79 HG22 THR 79 76.291 -11.209 -5.240 667 3HG2 THR 79 HG23 THR 79 77.905 -11.260 -5.948 668 H GLU 80 HN GLU 80 80.183 -8.077 -4.321 669 HA GLU 80 HA GLU 80 81.930 -10.405 -5.000 670 1HB GLU 80 HB2 GLU 80 82.544 -7.543 -5.727 671 2HB GLU 80 HB1 GLU 80 83.126 -9.027 -6.480 672 1HG GLU 80 HG2 GLU 80 81.511 -8.230 -7.999 673 2HG GLU 80 HG1 GLU 80 80.645 -9.461 -7.088 674 H GLY 81 HN GLY 81 81.317 -9.400 -2.305 675 1HA GLY 81 HA2 GLY 81 83.243 -7.711 -1.183 676 2HA GLY 81 HA1 GLY 81 82.569 -9.099 -0.328 677 H GLU 82 HN GLU 82 83.706 -10.732 -2.715 678 HA GLU 82 HA GLU 82 86.198 -11.439 -1.383 679 1HB GLU 82 HB2 GLU 82 85.015 -13.258 -2.357 680 2HB GLU 82 HB1 GLU 82 84.767 -12.390 -3.866 681 1HG GLU 82 HG2 GLU 82 87.002 -12.658 -4.532 682 2HG GLU 82 HG1 GLU 82 87.535 -13.063 -2.908 683 H GLN 83 HN GLN 83 85.445 -10.323 -4.680 684 HA GLN 83 HA GLN 83 88.071 -9.809 -5.531 685 1HB GLN 83 HB2 GLN 83 85.735 -8.025 -6.205 686 2HB GLN 83 HB1 GLN 83 87.137 -8.371 -7.202 687 1HG GLN 83 HG2 GLN 83 86.423 -10.704 -7.416 688 2HG GLN 83 HG1 GLN 83 85.045 -10.382 -6.378 689 1HE2 GLN 83 HE21 GLN 83 83.450 -10.785 -7.994 690 2HE2 GLN 83 HE22 GLN 83 83.233 -9.767 -9.332 691 H ILE 84 HN ILE 84 85.815 -7.669 -3.857 692 HA ILE 84 HA ILE 84 87.505 -5.402 -3.643 693 HB ILE 84 HB ILE 84 85.564 -6.416 -1.540 694 1HG1 ILE 84 HG12 ILE 84 85.089 -4.726 -4.017 695 2HG1 ILE 84 HG11 ILE 84 84.472 -6.354 -3.732 696 1HG2 ILE 84 HG21 ILE 84 85.400 -4.106 -0.870 697 2HG2 ILE 84 HG22 ILE 84 86.359 -3.579 -2.253 698 3HG2 ILE 84 HG23 ILE 84 87.117 -4.498 -0.953 699 1HD1 ILE 84 HD11 ILE 84 82.671 -4.895 -3.183 700 2HD1 ILE 84 HD12 ILE 84 83.730 -3.804 -2.291 701 3HD1 ILE 84 HD13 ILE 84 83.352 -5.397 -1.635 702 H ALA 85 HN ALA 85 87.421 -8.452 -1.941 703 HA ALA 85 HA ALA 85 89.403 -7.613 0.067 704 1HB ALA 85 HB1 ALA 85 88.576 -10.458 -0.511 705 2HB ALA 85 HB2 ALA 85 87.510 -9.359 0.362 706 3HB ALA 85 HB3 ALA 85 89.099 -9.749 1.019 707 H GLN 86 HN GLN 86 89.294 -9.271 -3.022 708 HA GLN 86 HA GLN 86 92.054 -10.228 -2.835 709 1HB GLN 86 HB2 GLN 86 90.144 -11.267 -4.217 710 2HB GLN 86 HB1 GLN 86 90.423 -9.960 -5.354 711 1HG GLN 86 HG2 GLN 86 92.877 -10.668 -5.329 712 2HG GLN 86 HG1 GLN 86 92.334 -12.128 -4.516 713 1HE2 GLN 86 HE21 GLN 86 93.174 -13.204 -6.575 714 2HE2 GLN 86 HE22 GLN 86 92.130 -13.280 -7.906 715 H LEU 87 HN LEU 87 90.287 -7.577 -4.309 716 HA LEU 87 HA LEU 87 92.536 -6.450 -5.704 717 1HB LEU 87 HB2 LEU 87 90.253 -5.830 -6.331 718 2HB LEU 87 HB1 LEU 87 89.948 -5.212 -4.710 719 HG LEU 87 HG LEU 87 91.607 -3.455 -5.015 720 1HD1 LEU 87 HD11 LEU 87 92.508 -3.247 -7.481 721 2HD1 LEU 87 HD12 LEU 87 92.172 -4.975 -7.563 722 3HD1 LEU 87 HD13 LEU 87 93.310 -4.353 -6.367 723 1HD2 LEU 87 HD21 LEU 87 89.590 -3.783 -7.247 724 2HD2 LEU 87 HD22 LEU 87 90.528 -2.305 -7.035 725 3HD2 LEU 87 HD23 LEU 87 89.426 -2.839 -5.766 726 H ILE 88 HN ILE 88 91.046 -6.005 -2.561 727 HA ILE 88 HA ILE 88 92.767 -3.888 -1.651 728 HB ILE 88 HB ILE 88 90.998 -5.936 -0.307 729 1HG1 ILE 88 HG12 ILE 88 90.208 -3.750 -1.561 730 2HG1 ILE 88 HG11 ILE 88 89.475 -4.184 -0.023 731 1HG2 ILE 88 HG21 ILE 88 92.864 -3.953 1.007 732 2HG2 ILE 88 HG22 ILE 88 92.688 -5.676 1.338 733 3HG2 ILE 88 HG23 ILE 88 91.420 -4.552 1.824 734 1HD1 ILE 88 HD11 ILE 88 91.881 -2.368 -0.133 735 2HD1 ILE 88 HD12 ILE 88 90.699 -2.553 1.161 736 3HD1 ILE 88 HD13 ILE 88 90.248 -1.741 -0.332 737 H ALA 89 HN ALA 89 92.685 -7.354 -0.811 738 HA ALA 89 HA ALA 89 95.175 -7.469 0.527 739 1HB ALA 89 HB1 ALA 89 93.588 -9.347 0.535 740 2HB ALA 89 HB2 ALA 89 95.162 -9.885 -0.051 741 3HB ALA 89 HB3 ALA 89 93.850 -9.592 -1.192 742 H GLY 90 HN GLY 90 94.437 -6.960 -2.771 743 1HA GLY 90 HA2 GLY 90 97.012 -7.921 -3.801 744 2HA GLY 90 HA1 GLY 90 95.758 -7.108 -4.733 745 H TYR 91 HN TYR 91 95.516 -4.743 -3.084 746 HA TYR 91 HA TYR 91 97.820 -3.299 -4.113 747 1HB TYR 91 HB2 TYR 91 95.453 -2.498 -2.414 748 2HB TYR 91 HB1 TYR 91 96.758 -1.369 -2.744 749 HD1 TYR 91 HD1 TYR 91 93.586 -2.124 -3.750 750 HD2 TYR 91 HD2 TYR 91 97.490 -1.567 -5.475 751 HE1 TYR 91 HE1 TYR 91 92.553 -1.524 -5.916 752 HE2 TYR 91 HE2 TYR 91 96.446 -0.995 -7.640 753 HH TYR 91 HH TYR 91 93.193 -0.217 -7.962 754 H ILE 92 HN ILE 92 96.803 -4.517 -0.984 755 HA ILE 92 HA ILE 92 98.717 -3.108 0.594 756 HB ILE 92 HB ILE 92 97.475 -5.823 1.080 757 1HG1 ILE 92 HG12 ILE 92 96.599 -3.073 2.018 758 2HG1 ILE 92 HG11 ILE 92 95.883 -3.916 0.644 759 1HG2 ILE 92 HG21 ILE 92 99.307 -5.546 2.588 760 2HG2 ILE 92 HG22 ILE 92 97.872 -5.087 3.503 761 3HG2 ILE 92 HG23 ILE 92 98.932 -3.842 2.844 762 1HD1 ILE 92 HD11 ILE 92 95.072 -5.685 2.032 763 2HD1 ILE 92 HD12 ILE 92 94.656 -4.187 2.861 764 3HD1 ILE 92 HD13 ILE 92 96.033 -5.142 3.407 765 H ASP 93 HN ASP 93 98.973 -5.931 -1.430 766 HA ASP 93 HA ASP 93 101.550 -6.765 -0.290 767 1HB ASP 93 HB2 ASP 93 99.863 -7.700 -2.616 768 2HB ASP 93 HB1 ASP 93 101.480 -8.338 -2.324 769 H ILE 94 HN ILE 94 100.415 -4.661 -2.789 770 HA ILE 94 HA ILE 94 102.960 -4.680 -4.265 771 HB ILE 94 HB ILE 94 100.476 -2.975 -4.546 772 1HG1 ILE 94 HG12 ILE 94 101.532 -5.199 -6.314 773 2HG1 ILE 94 HG11 ILE 94 100.337 -5.466 -5.045 774 1HG2 ILE 94 HG21 ILE 94 101.564 -2.525 -6.837 775 2HG2 ILE 94 HG22 ILE 94 103.056 -3.129 -6.116 776 3HG2 ILE 94 HG23 ILE 94 102.271 -1.697 -5.450 777 1HD1 ILE 94 HD11 ILE 94 99.136 -5.140 -7.112 778 2HD1 ILE 94 HD12 ILE 94 100.059 -3.683 -7.478 779 3HD1 ILE 94 HD13 ILE 94 98.913 -3.688 -6.139 780 H ILE 95 HN ILE 95 101.452 -2.829 -1.730 781 HA ILE 95 HA ILE 95 103.294 -0.553 -2.045 782 HB ILE 95 HB ILE 95 102.251 0.235 0.073 783 1HG1 ILE 95 HG12 ILE 95 100.757 -2.393 -0.162 784 2HG1 ILE 95 HG11 ILE 95 101.842 -1.911 1.142 785 1HG2 ILE 95 HG21 ILE 95 101.253 0.579 -2.258 786 2HG2 ILE 95 HG22 ILE 95 100.144 0.768 -0.900 787 3HG2 ILE 95 HG23 ILE 95 100.127 -0.716 -1.853 788 1HD1 ILE 95 HD11 ILE 95 99.120 -0.784 0.474 789 2HD1 ILE 95 HD12 ILE 95 100.262 0.091 1.495 790 3HD1 ILE 95 HD13 ILE 95 99.666 -1.492 1.995 791 H LEU 96 HN LEU 96 102.998 -3.456 -0.132 792 HA LEU 96 HA LEU 96 105.080 -2.741 1.758 793 1HB LEU 96 HB2 LEU 96 103.365 -5.097 1.158 794 2HB LEU 96 HB1 LEU 96 104.883 -5.456 1.982 795 HG LEU 96 HG LEU 96 103.104 -3.234 2.997 796 1HD1 LEU 96 HD11 LEU 96 102.847 -6.181 3.662 797 2HD1 LEU 96 HD12 LEU 96 101.649 -5.209 2.811 798 3HD1 LEU 96 HD13 LEU 96 102.017 -4.872 4.502 799 1HD2 LEU 96 HD21 LEU 96 104.265 -3.579 5.042 800 2HD2 LEU 96 HD22 LEU 96 105.513 -3.729 3.807 801 3HD2 LEU 96 HD23 LEU 96 104.833 -5.175 4.549 802 H LYS 97 HN LYS 97 105.016 -4.399 -1.345 803 HA LYS 97 HA LYS 97 107.717 -5.457 -1.037 804 1HB LYS 97 HB2 LYS 97 107.500 -6.275 -3.263 805 2HB LYS 97 HB1 LYS 97 105.919 -6.459 -2.515 806 1HG LYS 97 HG2 LYS 97 105.166 -5.408 -4.412 807 2HG LYS 97 HG1 LYS 97 105.654 -3.947 -3.570 808 1HD LYS 97 HD2 LYS 97 106.724 -3.690 -5.635 809 2HD LYS 97 HD1 LYS 97 107.994 -4.423 -4.667 810 1HE LYS 97 HE2 LYS 97 107.797 -5.527 -6.871 811 2HE LYS 97 HE1 LYS 97 107.418 -6.645 -5.562 812 1HZ LYS 97 HZ1 LYS 97 105.850 -6.450 -7.603 813 2HZ LYS 97 HZ2 LYS 97 105.256 -5.082 -6.790 814 3HZ LYS 97 HZ3 LYS 97 105.194 -6.608 -6.047 815 H LYS 98 HN LYS 98 106.314 -2.499 -2.352 816 HA LYS 98 HA LYS 98 108.644 -1.682 -3.822 817 1HB LYS 98 HB2 LYS 98 106.394 -0.078 -2.582 818 2HB LYS 98 HB1 LYS 98 107.608 0.590 -3.669 819 1HG LYS 98 HG2 LYS 98 106.873 -0.726 -5.498 820 2HG LYS 98 HG1 LYS 98 105.965 -1.814 -4.461 821 1HD LYS 98 HD2 LYS 98 104.305 -0.461 -5.452 822 2HD LYS 98 HD1 LYS 98 104.529 0.249 -3.858 823 1HE LYS 98 HE2 LYS 98 104.483 2.027 -5.522 824 2HE LYS 98 HE1 LYS 98 106.112 1.904 -4.865 825 1HZ LYS 98 HZ1 LYS 98 106.677 1.826 -7.021 826 2HZ LYS 98 HZ2 LYS 98 105.138 1.319 -7.529 827 3HZ LYS 98 HZ3 LYS 98 106.244 0.191 -6.907 828 H LYS 99 HN LYS 99 107.441 -0.713 -0.587 829 HA LYS 99 HA LYS 99 110.003 0.582 0.002 830 1HB LYS 99 HB2 LYS 99 108.972 1.387 1.975 831 2HB LYS 99 HB1 LYS 99 107.698 1.410 0.762 832 1HG LYS 99 HG2 LYS 99 107.013 -0.892 1.613 833 2HG LYS 99 HG1 LYS 99 108.120 -0.624 2.960 834 1HD LYS 99 HD2 LYS 99 106.843 1.625 3.277 835 2HD LYS 99 HD1 LYS 99 105.600 0.885 2.269 836 1HE LYS 99 HE2 LYS 99 106.714 -0.336 4.813 837 2HE LYS 99 HE1 LYS 99 105.183 0.532 4.699 838 1HZ LYS 99 HZ1 LYS 99 104.902 -1.878 4.531 839 2HZ LYS 99 HZ2 LYS 99 105.885 -1.899 3.145 840 3HZ LYS 99 HZ3 LYS 99 104.393 -1.086 3.120 841 H LYS 100 HN LYS 100 108.708 -2.551 0.267 842 HA LYS 100 HA LYS 100 109.403 -4.462 1.453 843 1HB LYS 100 HB2 LYS 100 111.383 -3.923 -0.021 844 2HB LYS 100 HB1 LYS 100 112.094 -3.073 1.351 845 1HG LYS 100 HG2 LYS 100 111.915 -5.166 2.699 846 2HG LYS 100 HG1 LYS 100 111.319 -6.007 1.269 847 1HD LYS 100 HD2 LYS 100 113.927 -4.503 1.099 848 2HD LYS 100 HD1 LYS 100 113.897 -6.083 1.877 849 1HE LYS 100 HE2 LYS 100 113.225 -7.182 -0.094 850 2HE LYS 100 HE1 LYS 100 112.655 -5.693 -0.844 851 1HZ LYS 100 HZ1 LYS 100 115.319 -6.800 -0.732 852 2HZ LYS 100 HZ2 LYS 100 115.241 -5.137 -0.394 853 3HZ LYS 100 HZ3 LYS 100 114.631 -5.738 -1.861 854 1H SER 1 HT1 SER 1 86.393 -17.978 11.149 855 2H SER 1 HT2 SER 1 86.667 -16.962 9.815 856 3H SER 1 HT3 SER 1 86.402 -16.294 11.355 857 HA SER 1 HA SER 1 88.461 -17.394 12.139 858 1HB SER 1 HB2 SER 1 88.788 -19.155 10.602 859 2HB SER 1 HB1 SER 1 88.513 -18.111 9.210 860 HG SER 1 HG SER 1 90.750 -18.618 9.611 861 H TRP 2 HN TRP 2 87.175 -15.038 10.154 862 HA TRP 2 HA TRP 2 87.912 -12.903 9.498 863 1HB TRP 2 HB2 TRP 2 89.299 -13.487 12.102 864 2HB TRP 2 HB1 TRP 2 89.772 -12.039 11.221 865 HD1 TRP 2 HD1 TRP 2 87.161 -13.371 13.492 866 HE1 TRP 2 HE1 TRP 2 85.302 -11.613 13.828 867 HE3 TRP 2 HE3 TRP 2 88.397 -10.076 9.799 868 HZ2 TRP 2 HZ2 TRP 2 84.461 -9.128 12.679 869 HZ3 TRP 2 HZ3 TRP 2 87.058 -8.020 9.444 870 HH2 TRP 2 HH2 TRP 2 85.100 -7.545 10.878 871 H VAL 3 HN VAL 3 90.149 -11.625 9.188 872 HA VAL 3 HA VAL 3 92.383 -13.315 8.366 873 HB VAL 3 HB VAL 3 91.122 -13.579 6.361 874 1HG1 VAL 3 HG11 VAL 3 89.398 -11.927 6.824 875 2HG1 VAL 3 HG12 VAL 3 90.079 -11.624 5.224 876 3HG1 VAL 3 HG13 VAL 3 90.561 -10.620 6.591 877 1HG2 VAL 3 HG21 VAL 3 92.565 -12.644 4.764 878 2HG2 VAL 3 HG22 VAL 3 93.553 -12.573 6.225 879 3HG2 VAL 3 HG23 VAL 3 92.727 -11.124 5.645 880 1HN PTR 4 HN PTR 4 94.268 -12.118 8.472 881 HA PTR 4 HA PTR 4 93.963 -9.193 9.084 882 1HB PTR 4 HB1 PTR 4 96.323 -9.601 10.116 883 2HB PTR 4 HB2 PTR 4 95.900 -11.310 10.018 884 HD1 PTR 4 HD1 PTR 4 93.291 -11.737 10.814 885 HD2 PTR 4 HD2 PTR 4 95.891 -8.593 12.181 886 HE1 PTR 4 HE1 PTR 4 91.954 -11.527 12.887 887 HE2 PTR 4 HE2 PTR 4 94.548 -8.388 14.253 888 H SER 5 HN SER 5 95.815 -7.839 8.394 889 HA SER 5 HA SER 5 96.627 -8.559 5.638 890 1HB SER 5 HB2 SER 5 97.193 -6.167 5.456 891 2HB SER 5 HB1 SER 5 95.563 -6.366 6.081 892 HG SER 5 HG SER 5 96.300 -5.918 8.116 893 HA PRO 6 HA PRO 6 100.798 -9.475 6.892 894 1HB PRO 6 HB2 PRO 6 102.113 -8.123 4.717 895 2HB PRO 6 HB1 PRO 6 101.747 -9.847 4.840 896 1HG PRO 6 HG2 PRO 6 100.416 -7.820 3.192 897 2HG PRO 6 HG1 PRO 6 100.220 -9.579 3.149 898 1HD PRO 6 HD2 PRO 6 98.337 -7.703 4.169 899 2HD PRO 6 HD1 PRO 6 98.279 -9.467 4.360 900 H LEU 7 HN LEU 7 99.656 -6.262 6.266 901 HA LEU 7 HA LEU 7 101.813 -4.624 6.927 902 1HB LEU 7 HB2 LEU 7 98.932 -4.317 7.830 903 2HB LEU 7 HB1 LEU 7 100.132 -3.030 7.823 904 HG LEU 7 HG LEU 7 99.603 -4.532 5.263 905 1HD1 LEU 7 HD11 LEU 7 97.816 -2.921 4.697 906 2HD1 LEU 7 HD12 LEU 7 97.904 -2.254 6.328 907 3HD1 LEU 7 HD13 LEU 7 97.365 -3.914 6.083 908 1HD2 LEU 7 HD21 LEU 7 101.430 -2.736 5.631 909 2HD2 LEU 7 HD22 LEU 7 100.103 -1.574 5.687 910 3HD2 LEU 7 HD23 LEU 7 100.376 -2.535 4.232 911 H HIS 8 HN HIS 8 103.154 -5.658 8.505 912 HA HIS 8 HA HIS 8 102.036 -6.381 11.114 913 1HB HIS 8 HB2 HIS 8 104.370 -6.918 11.691 914 2HB HIS 8 HB1 HIS 8 103.927 -7.644 10.147 915 HD1 HIS 8 HD1 HIS 8 106.215 -5.168 11.690 916 HD2 HIS 8 HD2 HIS 8 105.048 -6.268 7.842 917 HE1 HIS 8 HE1 HIS 8 107.888 -4.118 10.106 Start of MODEL 18 1 1H LEU 1 HT1 LEU 1 87.885 16.576 -11.126 2 2H LEU 1 HT2 LEU 1 87.231 15.018 -11.302 3 3H LEU 1 HT3 LEU 1 88.481 15.537 -12.327 4 HA LEU 1 HA LEU 1 89.855 14.488 -10.934 5 1HB LEU 1 HB2 LEU 1 89.024 16.931 -9.358 6 2HB LEU 1 HB1 LEU 1 90.281 15.838 -8.781 7 HG LEU 1 HG LEU 1 91.614 16.222 -10.768 8 1HD1 LEU 1 HD11 LEU 1 90.034 16.429 -12.520 9 2HD1 LEU 1 HD12 LEU 1 90.748 18.035 -12.396 10 3HD1 LEU 1 HD13 LEU 1 89.161 17.721 -11.695 11 1HD2 LEU 1 HD21 LEU 1 90.554 18.895 -9.808 12 2HD2 LEU 1 HD22 LEU 1 92.168 18.551 -10.431 13 3HD2 LEU 1 HD23 LEU 1 91.666 17.894 -8.873 14 H LYS 2 HN LYS 2 89.980 14.142 -8.190 15 HA LYS 2 HA LYS 2 89.230 12.545 -6.643 16 1HB LYS 2 HB2 LYS 2 86.847 14.319 -7.165 17 2HB LYS 2 HB1 LYS 2 86.781 13.020 -5.973 18 1HG LYS 2 HG2 LYS 2 87.437 15.172 -4.942 19 2HG LYS 2 HG1 LYS 2 88.711 13.967 -4.797 20 1HD LYS 2 HD2 LYS 2 90.025 14.974 -6.475 21 2HD LYS 2 HD1 LYS 2 88.665 15.903 -7.107 22 1HE LYS 2 HE2 LYS 2 88.639 17.312 -5.131 23 2HE LYS 2 HE1 LYS 2 89.867 16.313 -4.355 24 1HZ LYS 2 HZ1 LYS 2 91.448 17.445 -5.384 25 2HZ LYS 2 HZ2 LYS 2 90.270 18.495 -6.012 26 3HZ LYS 2 HZ3 LYS 2 90.760 17.135 -6.903 27 H THR 3 HN THR 3 88.794 12.042 -9.683 28 HA THR 3 HA THR 3 87.304 9.531 -9.273 29 HB THR 3 HB THR 3 86.418 11.372 -11.498 30 HG1 THR 3 HG1 THR 3 85.345 11.070 -8.892 31 1HG2 THR 3 HG21 THR 3 84.609 9.866 -11.726 32 2HG2 THR 3 HG22 THR 3 84.895 9.152 -10.139 33 3HG2 THR 3 HG23 THR 3 86.008 8.825 -11.467 34 H TYR 4 HN TYR 4 89.968 9.730 -9.756 35 HA TYR 4 HA TYR 4 90.519 9.552 -12.633 36 1HB TYR 4 HB2 TYR 4 92.098 9.429 -10.093 37 2HB TYR 4 HB1 TYR 4 92.781 8.591 -11.479 38 HD1 TYR 4 HD1 TYR 4 91.573 11.867 -10.251 39 HD2 TYR 4 HD2 TYR 4 93.713 9.787 -13.330 40 HE1 TYR 4 HE1 TYR 4 92.366 14.035 -11.161 41 HE2 TYR 4 HE2 TYR 4 94.510 11.951 -14.244 42 HH TYR 4 HH TYR 4 93.167 14.830 -13.577 43 H GLY 5 HN GLY 5 92.186 7.347 -12.811 44 1HA GLY 5 HA2 GLY 5 90.388 5.202 -13.231 45 2HA GLY 5 HA1 GLY 5 92.136 5.013 -13.094 46 H VAL 6 HN VAL 6 89.131 5.110 -11.277 47 HA VAL 6 HA VAL 6 90.502 3.729 -8.987 48 HB VAL 6 HB VAL 6 88.126 5.618 -8.919 49 1HG1 VAL 6 HG11 VAL 6 89.603 4.102 -6.749 50 2HG1 VAL 6 HG12 VAL 6 87.913 3.905 -7.215 51 3HG1 VAL 6 HG13 VAL 6 88.445 5.395 -6.438 52 1HG2 VAL 6 HG21 VAL 6 90.525 6.549 -9.295 53 2HG2 VAL 6 HG22 VAL 6 90.831 6.039 -7.635 54 3HG2 VAL 6 HG23 VAL 6 89.578 7.232 -7.975 55 H SER 7 HN SER 7 89.503 1.858 -8.251 56 HA SER 7 HA SER 7 87.370 0.760 -9.966 57 1HB SER 7 HB2 SER 7 88.742 -0.510 -7.596 58 2HB SER 7 HB1 SER 7 87.791 -1.323 -8.830 59 HG SER 7 HG SER 7 90.364 -0.228 -8.957 60 H PHE 8 HN PHE 8 85.450 1.677 -9.422 61 HA PHE 8 HA PHE 8 84.633 2.019 -6.601 62 1HB PHE 8 HB2 PHE 8 82.456 2.773 -7.814 63 2HB PHE 8 HB1 PHE 8 83.889 3.786 -7.976 64 HD1 PHE 8 HD1 PHE 8 85.276 3.686 -10.043 65 HD2 PHE 8 HD2 PHE 8 81.549 1.575 -9.699 66 HE1 PHE 8 HE1 PHE 8 85.210 3.401 -12.505 67 HE2 PHE 8 HE2 PHE 8 81.485 1.289 -12.163 68 HZ PHE 8 HZ PHE 8 83.315 2.203 -13.565 69 H PHE 9 HN PHE 9 83.697 0.339 -5.528 70 HA PHE 9 HA PHE 9 82.465 -1.888 -7.103 71 1HB PHE 9 HB2 PHE 9 83.577 -1.672 -4.299 72 2HB PHE 9 HB1 PHE 9 82.538 -3.017 -4.769 73 HD1 PHE 9 HD1 PHE 9 85.685 -1.224 -5.673 74 HD2 PHE 9 HD2 PHE 9 83.404 -4.851 -5.996 75 HE1 PHE 9 HE1 PHE 9 87.629 -2.359 -6.712 76 HE2 PHE 9 HE2 PHE 9 85.352 -5.984 -7.035 77 HZ PHE 9 HZ PHE 9 87.464 -4.735 -7.394 78 H LEU 10 HN LEU 10 80.281 -2.265 -6.956 79 HA LEU 10 HA LEU 10 78.642 -0.296 -5.524 80 1HB LEU 10 HB2 LEU 10 77.908 -1.044 -7.723 81 2HB LEU 10 HB1 LEU 10 77.899 -2.719 -7.190 82 HG LEU 10 HG LEU 10 76.262 -1.023 -5.405 83 1HD1 LEU 10 HD11 LEU 10 75.332 -1.260 -8.279 84 2HD1 LEU 10 HD12 LEU 10 75.959 0.223 -7.565 85 3HD1 LEU 10 HD13 LEU 10 74.473 -0.494 -6.941 86 1HD2 LEU 10 HD21 LEU 10 74.540 -2.762 -5.994 87 2HD2 LEU 10 HD22 LEU 10 76.047 -3.440 -5.389 88 3HD2 LEU 10 HD23 LEU 10 75.699 -3.470 -7.117 89 H VAL 11 HN VAL 11 78.536 -0.563 -3.377 90 HA VAL 11 HA VAL 11 77.926 -3.302 -2.305 91 HB VAL 11 HB VAL 11 79.015 -2.667 -0.254 92 1HG1 VAL 11 HG11 VAL 11 81.252 -2.657 -0.979 93 2HG1 VAL 11 HG12 VAL 11 80.910 -1.600 -2.349 94 3HG1 VAL 11 HG13 VAL 11 80.406 -3.288 -2.391 95 1HG2 VAL 11 HG21 VAL 11 80.191 -0.361 -0.207 96 2HG2 VAL 11 HG22 VAL 11 78.444 -0.381 0.028 97 3HG2 VAL 11 HG23 VAL 11 79.119 0.065 -1.539 98 H LYS 12 HN LYS 12 76.198 -3.388 -0.795 99 HA LYS 12 HA LYS 12 74.450 -0.948 -0.809 100 1HB LYS 12 HB2 LYS 12 73.935 -3.868 -1.025 101 2HB LYS 12 HB1 LYS 12 72.813 -3.005 0.027 102 1HG LYS 12 HG2 LYS 12 72.186 -1.503 -1.742 103 2HG LYS 12 HG1 LYS 12 73.474 -2.107 -2.795 104 1HD LYS 12 HD2 LYS 12 72.401 -4.301 -2.892 105 2HD LYS 12 HD1 LYS 12 71.160 -3.770 -1.757 106 1HE LYS 12 HE2 LYS 12 70.385 -3.682 -4.130 107 2HE LYS 12 HE1 LYS 12 70.360 -2.101 -3.350 108 1HZ LYS 12 HZ1 LYS 12 72.617 -3.085 -5.002 109 2HZ LYS 12 HZ2 LYS 12 72.388 -1.512 -4.402 110 3HZ LYS 12 HZ3 LYS 12 71.360 -2.123 -5.609 111 H GLU 13 HN GLU 13 73.363 -0.393 1.112 112 HA GLU 13 HA GLU 13 74.544 -1.495 3.643 113 1HB GLU 13 HB2 GLU 13 73.770 1.399 3.222 114 2HB GLU 13 HB1 GLU 13 74.683 0.706 4.561 115 1HG GLU 13 HG2 GLU 13 76.439 0.024 2.856 116 2HG GLU 13 HG1 GLU 13 75.576 1.023 1.690 117 H LYS 14 HN LYS 14 73.043 -1.288 5.477 118 HA LYS 14 HA LYS 14 70.181 -1.300 4.583 119 1HB LYS 14 HB2 LYS 14 71.770 -2.920 6.492 120 2HB LYS 14 HB1 LYS 14 70.216 -2.411 7.136 121 1HG LYS 14 HG2 LYS 14 69.878 -4.531 6.069 122 2HG LYS 14 HG1 LYS 14 69.141 -3.316 5.030 123 1HD LYS 14 HD2 LYS 14 70.923 -3.405 3.463 124 2HD LYS 14 HD1 LYS 14 71.987 -4.241 4.597 125 1HE LYS 14 HE2 LYS 14 69.490 -5.382 3.306 126 2HE LYS 14 HE1 LYS 14 71.154 -5.849 2.968 127 1HZ LYS 14 HZ1 LYS 14 69.445 -6.764 5.016 128 2HZ LYS 14 HZ2 LYS 14 70.828 -6.057 5.702 129 3HZ LYS 14 HZ3 LYS 14 70.985 -7.325 4.583 130 H MET 15 HN MET 15 69.389 0.740 4.936 131 HA MET 15 HA MET 15 70.309 2.390 7.122 132 1HB MET 15 HB2 MET 15 68.034 2.618 5.164 133 2HB MET 15 HB1 MET 15 68.147 3.726 6.530 134 1HG MET 15 HG2 MET 15 70.414 3.255 4.579 135 2HG MET 15 HG1 MET 15 69.241 4.564 4.416 136 1HE MET 15 HE1 MET 15 69.583 6.804 5.333 137 2HE MET 15 HE2 MET 15 69.946 7.060 7.038 138 3HE MET 15 HE3 MET 15 68.593 6.029 6.578 139 H LYS 16 HN LYS 16 69.129 2.972 8.961 140 HA LYS 16 HA LYS 16 67.999 0.886 10.448 141 1HB LYS 16 HB2 LYS 16 66.953 3.215 11.621 142 2HB LYS 16 HB1 LYS 16 68.480 2.454 12.016 143 1HG LYS 16 HG2 LYS 16 68.838 4.807 11.519 144 2HG LYS 16 HG1 LYS 16 69.605 3.814 10.293 145 1HD LYS 16 HD2 LYS 16 68.521 5.368 8.927 146 2HD LYS 16 HD1 LYS 16 67.256 4.155 9.030 147 1HE LYS 16 HE2 LYS 16 66.260 6.309 9.482 148 2HE LYS 16 HE1 LYS 16 66.303 5.404 10.995 149 1HZ LYS 16 HZ1 LYS 16 68.442 7.291 10.200 150 2HZ LYS 16 HZ2 LYS 16 68.160 6.614 11.733 151 3HZ LYS 16 HZ3 LYS 16 67.089 7.773 11.102 152 H GLY 17 HN GLY 17 65.910 3.657 10.239 153 1HA GLY 17 HA2 GLY 17 63.480 2.493 10.432 154 2HA GLY 17 HA1 GLY 17 63.712 3.911 9.420 155 H LYS 18 HN LYS 18 65.444 2.365 7.505 156 HA LYS 18 HA LYS 18 63.162 1.058 6.061 157 1HB LYS 18 HB2 LYS 18 65.878 1.781 4.948 158 2HB LYS 18 HB1 LYS 18 64.465 1.263 4.053 159 1HG LYS 18 HG2 LYS 18 64.609 3.642 3.853 160 2HG LYS 18 HG1 LYS 18 63.243 3.263 4.889 161 1HD LYS 18 HD2 LYS 18 64.208 4.201 6.759 162 2HD LYS 18 HD1 LYS 18 65.827 3.675 6.313 163 1HE LYS 18 HE2 LYS 18 66.173 5.527 4.902 164 2HE LYS 18 HE1 LYS 18 64.446 5.852 4.750 165 1HZ LYS 18 HZ1 LYS 18 65.661 5.981 7.412 166 2HZ LYS 18 HZ2 LYS 18 64.356 6.862 6.773 167 3HZ LYS 18 HZ3 LYS 18 65.949 7.262 6.338 168 H ASN 19 HN ASN 19 63.053 -1.090 5.962 169 HA ASN 19 HA ASN 19 65.288 -2.760 6.854 170 1HB ASN 19 HB2 ASN 19 62.534 -3.288 5.741 171 2HB ASN 19 HB1 ASN 19 63.699 -4.596 5.915 172 1HD2 ASN 19 HD21 ASN 19 61.184 -3.127 7.533 173 2HD2 ASN 19 HD22 ASN 19 61.630 -3.491 9.129 174 H LYS 20 HN LYS 20 64.461 -1.013 4.229 175 HA LYS 20 HA LYS 20 65.175 -2.687 2.021 176 1HB LYS 20 HB2 LYS 20 64.044 -0.219 2.302 177 2HB LYS 20 HB1 LYS 20 65.655 0.235 1.778 178 1HG LYS 20 HG2 LYS 20 64.540 -0.019 -0.261 179 2HG LYS 20 HG1 LYS 20 65.296 -1.593 -0.058 180 1HD LYS 20 HD2 LYS 20 63.117 -2.245 -0.569 181 2HD LYS 20 HD1 LYS 20 63.030 -2.188 1.192 182 1HE LYS 20 HE2 LYS 20 61.129 -0.971 0.526 183 2HE LYS 20 HE1 LYS 20 62.309 0.299 0.841 184 1HZ LYS 20 HZ1 LYS 20 62.526 -0.672 -1.820 185 2HZ LYS 20 HZ2 LYS 20 62.260 0.914 -1.271 186 3HZ LYS 20 HZ3 LYS 20 60.947 -0.139 -1.504 187 H LEU 21 HN LEU 21 67.051 -1.469 0.599 188 HA LEU 21 HA LEU 21 69.535 -1.503 2.268 189 1HB LEU 21 HB2 LEU 21 69.742 -2.341 -0.597 190 2HB LEU 21 HB1 LEU 21 70.606 -2.942 0.810 191 HG LEU 21 HG LEU 21 68.175 -3.877 1.457 192 1HD1 LEU 21 HD11 LEU 21 66.788 -4.405 -0.395 193 2HD1 LEU 21 HD12 LEU 21 68.058 -4.016 -1.559 194 3HD1 LEU 21 HD13 LEU 21 67.257 -2.727 -0.664 195 1HD2 LEU 21 HD21 LEU 21 70.313 -5.191 0.925 196 2HD2 LEU 21 HD22 LEU 21 69.725 -5.280 -0.731 197 3HD2 LEU 21 HD23 LEU 21 68.795 -6.008 0.574 198 H VAL 22 HN VAL 22 71.281 -0.160 1.367 199 HA VAL 22 HA VAL 22 70.265 1.988 -0.477 200 HB VAL 22 HB VAL 22 71.897 2.149 2.049 201 1HG1 VAL 22 HG11 VAL 22 73.246 3.437 0.563 202 2HG1 VAL 22 HG12 VAL 22 72.222 4.612 1.386 203 3HG1 VAL 22 HG13 VAL 22 71.836 4.106 -0.259 204 1HG2 VAL 22 HG21 VAL 22 70.283 4.086 2.404 205 2HG2 VAL 22 HG22 VAL 22 69.550 2.484 2.387 206 3HG2 VAL 22 HG23 VAL 22 69.421 3.530 0.974 207 HA PRO 23 HA PRO 23 73.808 0.203 -2.758 208 1HB PRO 23 HB2 PRO 23 73.286 2.365 -4.695 209 2HB PRO 23 HB1 PRO 23 73.273 0.634 -4.965 210 1HG PRO 23 HG2 PRO 23 71.000 2.238 -4.882 211 2HG PRO 23 HG1 PRO 23 70.998 0.491 -4.594 212 1HD PRO 23 HD2 PRO 23 70.667 2.692 -2.641 213 2HD PRO 23 HD1 PRO 23 70.234 0.972 -2.485 214 H ARG 24 HN ARG 24 75.954 0.928 -3.045 215 HA ARG 24 HA ARG 24 76.626 3.767 -2.663 216 1HB ARG 24 HB2 ARG 24 76.357 2.787 -0.331 217 2HB ARG 24 HB1 ARG 24 77.689 1.705 -0.709 218 1HG ARG 24 HG2 ARG 24 78.844 3.451 0.310 219 2HG ARG 24 HG1 ARG 24 78.937 3.950 -1.379 220 1HD ARG 24 HD2 ARG 24 78.200 5.912 -0.335 221 2HD ARG 24 HD1 ARG 24 76.672 5.189 -0.837 222 HE ARG 24 HE ARG 24 77.035 4.167 1.694 223 1HH1 ARG 24 HH21 ARG 24 77.115 7.301 0.256 224 2HH1 ARG 24 HH22 ARG 24 76.538 8.112 1.674 225 1HH2 ARG 24 HH11 ARG 24 76.270 5.208 3.550 226 2HH2 ARG 24 HH12 ARG 24 76.059 6.927 3.538 227 H LEU 25 HN LEU 25 78.667 4.215 -3.557 228 HA LEU 25 HA LEU 25 79.986 1.919 -4.944 229 1HB LEU 25 HB2 LEU 25 79.970 4.904 -5.391 230 2HB LEU 25 HB1 LEU 25 81.109 3.845 -6.219 231 HG LEU 25 HG LEU 25 78.100 3.511 -6.269 232 1HD1 LEU 25 HD11 LEU 25 78.928 5.637 -7.349 233 2HD1 LEU 25 HD12 LEU 25 78.115 4.535 -8.458 234 3HD1 LEU 25 HD13 LEU 25 79.875 4.639 -8.452 235 1HD2 LEU 25 HD21 LEU 25 79.162 2.265 -8.520 236 2HD2 LEU 25 HD22 LEU 25 78.678 1.457 -7.038 237 3HD2 LEU 25 HD23 LEU 25 80.362 1.901 -7.280 238 H LEU 26 HN LEU 26 82.151 1.459 -4.506 239 HA LEU 26 HA LEU 26 83.503 3.100 -2.390 240 1HB LEU 26 HB2 LEU 26 82.544 0.916 -1.564 241 2HB LEU 26 HB1 LEU 26 83.615 0.088 -2.687 242 HG LEU 26 HG LEU 26 85.532 1.404 -1.536 243 1HD1 LEU 26 HD11 LEU 26 83.270 1.788 0.445 244 2HD1 LEU 26 HD12 LEU 26 84.321 3.023 -0.246 245 3HD1 LEU 26 HD13 LEU 26 84.967 1.864 0.910 246 1HD2 LEU 26 HD21 LEU 26 84.013 -0.676 0.066 247 2HD2 LEU 26 HD22 LEU 26 85.732 -0.310 0.199 248 3HD2 LEU 26 HD23 LEU 26 85.098 -1.037 -1.276 249 H GLY 27 HN GLY 27 85.117 4.075 -3.454 250 1HA GLY 27 HA2 GLY 27 86.567 2.785 -5.646 251 2HA GLY 27 HA1 GLY 27 86.804 4.427 -5.079 252 H ILE 28 HN ILE 28 88.407 1.676 -5.397 253 HA ILE 28 HA ILE 28 89.857 1.853 -2.777 254 HB ILE 28 HB ILE 28 90.110 -0.314 -4.884 255 1HG1 ILE 28 HG12 ILE 28 87.794 -0.333 -4.182 256 2HG1 ILE 28 HG11 ILE 28 88.617 -1.646 -3.344 257 1HG2 ILE 28 HG21 ILE 28 90.747 -0.266 -1.922 258 2HG2 ILE 28 HG22 ILE 28 91.934 -0.067 -3.211 259 3HG2 ILE 28 HG23 ILE 28 91.067 -1.592 -3.040 260 1HD1 ILE 28 HD11 ILE 28 88.975 0.073 -1.433 261 2HD1 ILE 28 HD12 ILE 28 87.364 -0.604 -1.646 262 3HD1 ILE 28 HD13 ILE 28 87.724 1.012 -2.244 263 H THR 29 HN THR 29 91.576 3.242 -2.976 264 HA THR 29 HA THR 29 92.967 3.454 -5.603 265 HB THR 29 HB THR 29 94.228 5.313 -4.310 266 HG1 THR 29 HG1 THR 29 93.615 4.723 -2.244 267 1HG2 THR 29 HG21 THR 29 92.377 6.896 -4.669 268 2HG2 THR 29 HG22 THR 29 91.242 5.549 -4.763 269 3HG2 THR 29 HG23 THR 29 92.485 5.742 -5.999 270 H LYS 30 HN LYS 30 95.482 3.788 -5.222 271 HA LYS 30 HA LYS 30 96.442 1.279 -4.056 272 1HB LYS 30 HB2 LYS 30 98.712 2.400 -4.841 273 2HB LYS 30 HB1 LYS 30 97.580 1.773 -6.039 274 1HG LYS 30 HG2 LYS 30 96.721 3.921 -6.529 275 2HG LYS 30 HG1 LYS 30 97.427 4.633 -5.077 276 1HD LYS 30 HD2 LYS 30 99.620 4.556 -5.969 277 2HD LYS 30 HD1 LYS 30 99.156 3.426 -7.242 278 1HE LYS 30 HE2 LYS 30 98.078 5.082 -8.501 279 2HE LYS 30 HE1 LYS 30 97.856 6.141 -7.109 280 1HZ LYS 30 HZ1 LYS 30 99.675 6.702 -8.809 281 2HZ LYS 30 HZ2 LYS 30 100.564 5.463 -8.060 282 3HZ LYS 30 HZ3 LYS 30 100.052 6.809 -7.158 283 H GLU 31 HN GLU 31 95.629 4.111 -2.674 284 HA GLU 31 HA GLU 31 97.583 3.724 -0.467 285 1HB GLU 31 HB2 GLU 31 97.056 6.356 -1.863 286 2HB GLU 31 HB1 GLU 31 97.994 6.173 -0.383 287 1HG GLU 31 HG2 GLU 31 99.408 4.486 -1.716 288 2HG GLU 31 HG1 GLU 31 98.630 5.156 -3.141 289 H CYS 32 HN CYS 32 94.413 3.928 -1.322 290 HA CYS 32 HA CYS 32 93.565 4.333 1.402 291 1HB CYS 32 HB2 CYS 32 92.165 6.505 0.561 292 2HB CYS 32 HB1 CYS 32 93.741 6.637 1.321 293 HG CYS 32 HG CYS 32 93.211 6.917 -1.728 294 H VAL 33 HN VAL 33 91.132 4.540 1.537 295 HA VAL 33 HA VAL 33 89.798 3.088 -0.735 296 HB VAL 33 HB VAL 33 89.230 3.066 2.251 297 1HG1 VAL 33 HG11 VAL 33 87.685 1.977 -0.103 298 2HG1 VAL 33 HG12 VAL 33 87.099 2.987 1.218 299 3HG1 VAL 33 HG13 VAL 33 87.509 1.298 1.516 300 1HG2 VAL 33 HG21 VAL 33 90.258 1.010 0.287 301 2HG2 VAL 33 HG22 VAL 33 89.630 0.577 1.877 302 3HG2 VAL 33 HG23 VAL 33 91.054 1.608 1.742 303 H MET 34 HN MET 34 88.226 4.353 -1.740 304 HA MET 34 HA MET 34 87.490 6.895 -0.368 305 1HB MET 34 HB2 MET 34 86.857 6.257 -3.224 306 2HB MET 34 HB1 MET 34 87.079 7.828 -2.463 307 1HG MET 34 HG2 MET 34 89.541 6.629 -2.005 308 2HG MET 34 HG1 MET 34 89.110 5.993 -3.591 309 1HE MET 34 HE1 MET 34 88.071 7.538 -5.452 310 2HE MET 34 HE2 MET 34 89.778 7.151 -5.655 311 3HE MET 34 HE3 MET 34 89.206 8.785 -5.989 312 H ARG 35 HN ARG 35 85.419 7.471 0.107 313 HA ARG 35 HA ARG 35 83.373 5.303 -0.170 314 1HB ARG 35 HB2 ARG 35 83.414 7.939 1.331 315 2HB ARG 35 HB1 ARG 35 81.970 6.951 1.185 316 1HG ARG 35 HG2 ARG 35 83.586 5.041 2.116 317 2HG ARG 35 HG1 ARG 35 84.496 6.422 2.730 318 1HD ARG 35 HD2 ARG 35 81.795 5.421 3.531 319 2HD ARG 35 HD1 ARG 35 83.054 6.157 4.519 320 HE ARG 35 HE ARG 35 82.179 8.242 2.926 321 1HH1 ARG 35 HH21 ARG 35 80.749 5.908 5.020 322 2HH1 ARG 35 HH22 ARG 35 79.436 6.936 5.488 323 1HH2 ARG 35 HH11 ARG 35 80.469 9.598 3.523 324 2HH2 ARG 35 HH12 ARG 35 79.277 9.024 4.642 325 H VAL 36 HN VAL 36 81.889 5.464 -1.812 326 HA VAL 36 HA VAL 36 81.474 8.142 -3.069 327 HB VAL 36 HB VAL 36 81.930 5.548 -4.555 328 1HG1 VAL 36 HG11 VAL 36 81.671 8.410 -5.533 329 2HG1 VAL 36 HG12 VAL 36 80.422 7.176 -5.689 330 3HG1 VAL 36 HG13 VAL 36 81.952 6.993 -6.545 331 1HG2 VAL 36 HG21 VAL 36 84.034 6.205 -3.664 332 2HG2 VAL 36 HG22 VAL 36 83.718 7.909 -3.980 333 3HG2 VAL 36 HG23 VAL 36 84.020 6.806 -5.321 334 H ASP 37 HN ASP 37 79.373 8.608 -3.255 335 HA ASP 37 HA ASP 37 77.336 6.685 -2.512 336 1HB ASP 37 HB2 ASP 37 77.289 9.264 -2.240 337 2HB ASP 37 HB1 ASP 37 76.827 9.302 -3.940 338 H GLU 38 HN GLU 38 75.754 5.762 -3.901 339 HA GLU 38 HA GLU 38 76.705 5.334 -6.667 340 1HB GLU 38 HB2 GLU 38 75.821 3.542 -5.005 341 2HB GLU 38 HB1 GLU 38 74.237 4.186 -5.395 342 1HG GLU 38 HG2 GLU 38 76.169 3.251 -7.522 343 2HG GLU 38 HG1 GLU 38 74.987 2.185 -6.765 344 H LYS 39 HN LYS 39 74.385 7.026 -4.863 345 HA LYS 39 HA LYS 39 72.496 7.556 -6.972 346 1HB LYS 39 HB2 LYS 39 71.905 7.626 -4.592 347 2HB LYS 39 HB1 LYS 39 73.028 8.956 -4.358 348 1HG LYS 39 HG2 LYS 39 71.732 10.448 -5.661 349 2HG LYS 39 HG1 LYS 39 70.799 9.139 -6.385 350 1HD LYS 39 HD2 LYS 39 69.421 10.241 -4.714 351 2HD LYS 39 HD1 LYS 39 69.845 8.634 -4.129 352 1HE LYS 39 HE2 LYS 39 71.519 9.509 -2.659 353 2HE LYS 39 HE1 LYS 39 71.436 11.103 -3.409 354 1HZ LYS 39 HZ1 LYS 39 70.228 11.007 -1.302 355 2HZ LYS 39 HZ2 LYS 39 69.219 9.792 -1.929 356 3HZ LYS 39 HZ3 LYS 39 69.192 11.352 -2.600 357 H THR 40 HN THR 40 75.022 9.484 -5.374 358 HA THR 40 HA THR 40 74.850 11.488 -7.575 359 HB THR 40 HB THR 40 76.120 12.947 -6.107 360 HG1 THR 40 HG1 THR 40 76.220 11.640 -3.864 361 1HG2 THR 40 HG21 THR 40 74.065 11.547 -4.398 362 2HG2 THR 40 HG22 THR 40 73.617 12.546 -5.781 363 3HG2 THR 40 HG23 THR 40 74.479 13.261 -4.418 364 H LYS 41 HN LYS 41 76.659 8.727 -6.813 365 HA LYS 41 HA LYS 41 78.791 8.002 -7.538 366 1HB LYS 41 HB2 LYS 41 77.963 9.925 -9.719 367 2HB LYS 41 HB1 LYS 41 79.408 8.922 -9.828 368 1HG LYS 41 HG2 LYS 41 77.972 6.903 -9.434 369 2HG LYS 41 HG1 LYS 41 76.554 7.946 -9.506 370 1HD LYS 41 HD2 LYS 41 78.554 7.958 -11.768 371 2HD LYS 41 HD1 LYS 41 77.329 6.697 -11.675 372 1HE LYS 41 HE2 LYS 41 76.770 9.677 -11.699 373 2HE LYS 41 HE1 LYS 41 76.555 8.584 -13.064 374 1HZ LYS 41 HZ1 LYS 41 75.032 7.280 -11.595 375 2HZ LYS 41 HZ2 LYS 41 74.461 8.820 -12.031 376 3HZ LYS 41 HZ3 LYS 41 75.104 8.556 -10.480 377 H GLU 42 HN GLU 42 78.526 10.519 -5.830 378 HA GLU 42 HA GLU 42 81.051 11.924 -6.591 379 1HB GLU 42 HB2 GLU 42 78.555 12.784 -5.499 380 2HB GLU 42 HB1 GLU 42 79.762 13.056 -4.252 381 1HG GLU 42 HG2 GLU 42 79.695 15.045 -5.576 382 2HG GLU 42 HG1 GLU 42 81.163 14.194 -6.044 383 H VAL 43 HN VAL 43 82.572 12.391 -4.759 384 HA VAL 43 HA VAL 43 82.974 9.953 -3.147 385 HB VAL 43 HB VAL 43 84.619 12.476 -3.500 386 1HG1 VAL 43 HG11 VAL 43 85.078 10.006 -1.815 387 2HG1 VAL 43 HG12 VAL 43 85.110 11.691 -1.298 388 3HG1 VAL 43 HG13 VAL 43 86.396 11.060 -2.326 389 1HG2 VAL 43 HG21 VAL 43 85.252 9.635 -4.322 390 2HG2 VAL 43 HG22 VAL 43 86.046 11.118 -4.845 391 3HG2 VAL 43 HG23 VAL 43 84.408 10.759 -5.388 392 H ILE 44 HN ILE 44 82.345 9.775 -1.060 393 HA ILE 44 HA ILE 44 81.362 12.218 0.329 394 HB ILE 44 HB ILE 44 80.936 9.350 1.153 395 1HG1 ILE 44 HG12 ILE 44 80.073 9.537 -1.103 396 2HG1 ILE 44 HG11 ILE 44 78.703 9.602 0.003 397 1HG2 ILE 44 HG21 ILE 44 79.287 11.836 1.665 398 2HG2 ILE 44 HG22 ILE 44 80.528 11.249 2.771 399 3HG2 ILE 44 HG23 ILE 44 79.109 10.258 2.430 400 1HD1 ILE 44 HD11 ILE 44 79.981 11.855 -1.541 401 2HD1 ILE 44 HD12 ILE 44 78.995 12.178 -0.118 402 3HD1 ILE 44 HD13 ILE 44 78.290 11.363 -1.513 403 H GLN 45 HN GLN 45 83.794 9.689 0.543 404 HA GLN 45 HA GLN 45 85.239 11.184 2.553 405 1HB GLN 45 HB2 GLN 45 83.450 10.208 3.980 406 2HB GLN 45 HB1 GLN 45 83.967 8.599 3.484 407 1HG GLN 45 HG2 GLN 45 86.036 8.770 4.591 408 2HG GLN 45 HG1 GLN 45 85.941 10.530 4.694 409 1HE2 GLN 45 HE21 GLN 45 86.068 10.663 7.001 410 2HE2 GLN 45 HE22 GLN 45 84.849 10.067 8.018 411 H GLU 46 HN GLU 46 87.182 9.970 3.288 412 HA GLU 46 HA GLU 46 88.006 7.728 1.556 413 1HB GLU 46 HB2 GLU 46 89.290 10.440 1.720 414 2HB GLU 46 HB1 GLU 46 90.277 9.025 1.350 415 1HG GLU 46 HG2 GLU 46 89.084 8.570 -0.640 416 2HG GLU 46 HG1 GLU 46 87.742 9.620 -0.182 417 H TRP 47 HN TRP 47 89.878 6.577 2.343 418 HA TRP 47 HA TRP 47 90.641 7.118 5.170 419 1HB TRP 47 HB2 TRP 47 89.668 4.478 4.059 420 2HB TRP 47 HB1 TRP 47 90.450 4.657 5.619 421 HD1 TRP 47 HD1 TRP 47 89.064 7.129 6.836 422 HE1 TRP 47 HE1 TRP 47 86.553 7.110 7.401 423 HE3 TRP 47 HE3 TRP 47 87.488 3.335 3.793 424 HZ2 TRP 47 HZ2 TRP 47 84.200 5.681 6.683 425 HZ3 TRP 47 HZ3 TRP 47 85.103 2.666 3.761 426 HH2 TRP 47 HH2 TRP 47 83.457 3.832 5.201 427 H SER 48 HN SER 48 92.716 6.187 5.722 428 HA SER 48 HA SER 48 94.484 5.912 3.388 429 1HB SER 48 HB2 SER 48 96.130 5.452 5.494 430 2HB SER 48 HB1 SER 48 95.669 7.073 4.988 431 HG SER 48 HG SER 48 93.920 5.737 6.684 432 H LEU 49 HN LEU 49 95.502 4.016 2.742 433 HA LEU 49 HA LEU 49 94.201 1.532 3.321 434 1HB LEU 49 HB2 LEU 49 96.396 2.500 1.620 435 2HB LEU 49 HB1 LEU 49 96.737 0.892 2.247 436 HG LEU 49 HG LEU 49 94.062 1.544 1.001 437 1HD1 LEU 49 HD11 LEU 49 95.036 0.484 -1.097 438 2HD1 LEU 49 HD12 LEU 49 96.629 0.715 -0.376 439 3HD1 LEU 49 HD13 LEU 49 95.615 2.111 -0.739 440 1HD2 LEU 49 HD21 LEU 49 95.540 -1.090 0.986 441 2HD2 LEU 49 HD22 LEU 49 93.805 -0.794 0.868 442 3HD2 LEU 49 HD23 LEU 49 94.632 -0.584 2.409 443 H THR 50 HN THR 50 97.168 3.032 4.529 444 HA THR 50 HA THR 50 98.074 0.759 6.019 445 HB THR 50 HB THR 50 99.522 2.371 7.189 446 HG1 THR 50 HG1 THR 50 98.692 4.262 7.477 447 1HG2 THR 50 HG21 THR 50 99.273 3.163 4.281 448 2HG2 THR 50 HG22 THR 50 99.975 1.632 4.804 449 3HG2 THR 50 HG23 THR 50 100.732 3.155 5.272 450 H ASN 51 HN ASN 51 95.331 2.590 6.404 451 HA ASN 51 HA ASN 51 95.319 2.546 9.363 452 1HB ASN 51 HB2 ASN 51 94.292 4.397 7.892 453 2HB ASN 51 HB1 ASN 51 92.990 3.258 7.573 454 1HD2 ASN 51 HD21 ASN 51 92.845 5.812 9.138 455 2HD2 ASN 51 HD22 ASN 51 92.310 5.368 10.687 456 H ILE 52 HN ILE 52 94.046 0.695 6.669 457 HA ILE 52 HA ILE 52 91.982 -0.696 8.076 458 HB ILE 52 HB ILE 52 93.685 -1.634 5.748 459 1HG1 ILE 52 HG12 ILE 52 90.945 -0.323 5.787 460 2HG1 ILE 52 HG11 ILE 52 92.443 0.529 5.418 461 1HG2 ILE 52 HG21 ILE 52 92.554 -3.519 6.754 462 2HG2 ILE 52 HG22 ILE 52 91.656 -3.077 5.303 463 3HG2 ILE 52 HG23 ILE 52 91.051 -2.608 6.891 464 1HD1 ILE 52 HD11 ILE 52 91.615 -0.047 3.292 465 2HD1 ILE 52 HD12 ILE 52 91.071 -1.634 3.830 466 3HD1 ILE 52 HD13 ILE 52 92.791 -1.318 3.617 467 H LYS 53 HN LYS 53 92.190 -2.074 9.742 468 HA LYS 53 HA LYS 53 94.822 -3.231 10.407 469 1HB LYS 53 HB2 LYS 53 93.512 -2.333 12.245 470 2HB LYS 53 HB1 LYS 53 92.120 -3.314 11.788 471 1HG LYS 53 HG2 LYS 53 93.239 -5.344 12.391 472 2HG LYS 53 HG1 LYS 53 94.790 -4.518 12.551 473 1HD LYS 53 HD2 LYS 53 94.034 -3.313 14.495 474 2HD LYS 53 HD1 LYS 53 92.376 -3.869 14.262 475 1HE LYS 53 HE2 LYS 53 93.067 -6.184 14.682 476 2HE LYS 53 HE1 LYS 53 94.744 -5.667 14.856 477 1HZ LYS 53 HZ1 LYS 53 93.098 -5.923 16.909 478 2HZ LYS 53 HZ2 LYS 53 92.782 -4.300 16.515 479 3HZ LYS 53 HZ3 LYS 53 94.364 -4.795 16.886 480 H ARG 54 HN ARG 54 91.507 -4.437 9.778 481 HA ARG 54 HA ARG 54 92.641 -6.797 8.421 482 1HB ARG 54 HB2 ARG 54 91.968 -8.430 9.925 483 2HB ARG 54 HB1 ARG 54 92.244 -7.132 11.077 484 1HG ARG 54 HG2 ARG 54 89.774 -6.513 10.735 485 2HG ARG 54 HG1 ARG 54 89.607 -8.057 9.916 486 1HD ARG 54 HD2 ARG 54 89.039 -8.687 12.069 487 2HD ARG 54 HD1 ARG 54 90.777 -8.970 12.128 488 HE ARG 54 HE ARG 54 90.440 -6.304 12.922 489 1HH1 ARG 54 HH21 ARG 54 89.280 -9.414 13.848 490 2HH1 ARG 54 HH22 ARG 54 89.074 -8.988 15.515 491 1HH2 ARG 54 HH11 ARG 54 90.175 -5.728 15.092 492 2HH2 ARG 54 HH12 ARG 54 89.581 -6.901 16.219 493 H TRP 55 HN TRP 55 90.627 -8.243 7.760 494 HA TRP 55 HA TRP 55 88.139 -6.773 7.407 495 1HB TRP 55 HB2 TRP 55 88.167 -6.839 4.924 496 2HB TRP 55 HB1 TRP 55 89.421 -5.781 5.566 497 HD1 TRP 55 HD1 TRP 55 88.969 -9.324 4.136 498 HE1 TRP 55 HE1 TRP 55 91.221 -10.091 3.134 499 HE3 TRP 55 HE3 TRP 55 91.928 -5.397 5.504 500 HZ2 TRP 55 HZ2 TRP 55 93.911 -9.151 2.926 501 HZ3 TRP 55 HZ3 TRP 55 94.327 -5.358 4.890 502 HH2 TRP 55 HH2 TRP 55 95.317 -7.232 3.605 503 H ALA 56 HN ALA 56 86.617 -8.158 5.972 504 HA ALA 56 HA ALA 56 87.340 -11.036 5.977 505 1HB ALA 56 HB1 ALA 56 86.374 -10.724 8.201 506 2HB ALA 56 HB2 ALA 56 85.242 -11.624 7.190 507 3HB ALA 56 HB3 ALA 56 84.972 -9.911 7.507 508 H ALA 57 HN ALA 57 86.631 -11.856 4.077 509 HA ALA 57 HA ALA 57 84.582 -10.333 2.539 510 1HB ALA 57 HB1 ALA 57 86.751 -10.859 1.452 511 2HB ALA 57 HB2 ALA 57 85.388 -11.597 0.613 512 3HB ALA 57 HB3 ALA 57 86.416 -12.577 1.658 513 H SER 58 HN SER 58 82.543 -11.044 2.956 514 HA SER 58 HA SER 58 82.082 -13.917 3.483 515 1HB SER 58 HB2 SER 58 80.788 -11.422 4.221 516 2HB SER 58 HB1 SER 58 79.611 -12.537 3.532 517 HG SER 58 HG SER 58 80.603 -12.567 5.946 518 HA PRO 59 HA PRO 59 80.608 -14.864 -0.541 519 1HB PRO 59 HB2 PRO 59 78.030 -15.935 0.102 520 2HB PRO 59 HB1 PRO 59 79.539 -16.839 -0.083 521 1HG PRO 59 HG2 PRO 59 78.119 -16.092 2.400 522 2HG PRO 59 HG1 PRO 59 79.374 -17.319 2.160 523 1HD PRO 59 HD2 PRO 59 79.740 -14.847 3.449 524 2HD PRO 59 HD1 PRO 59 81.042 -15.877 2.823 525 H LYS 60 HN LYS 60 78.975 -12.635 1.468 526 HA LYS 60 HA LYS 60 77.723 -11.377 -0.908 527 1HB LYS 60 HB2 LYS 60 75.551 -11.204 0.215 528 2HB LYS 60 HB1 LYS 60 76.013 -12.890 0.023 529 1HG LYS 60 HG2 LYS 60 77.037 -12.680 2.391 530 2HG LYS 60 HG1 LYS 60 76.071 -11.213 2.518 531 1HD LYS 60 HD2 LYS 60 74.076 -12.658 1.794 532 2HD LYS 60 HD1 LYS 60 75.119 -14.044 2.117 533 1HE LYS 60 HE2 LYS 60 75.476 -13.199 4.433 534 2HE LYS 60 HE1 LYS 60 74.347 -11.885 4.102 535 1HZ LYS 60 HZ1 LYS 60 73.796 -14.566 4.821 536 2HZ LYS 60 HZ2 LYS 60 73.076 -14.211 3.324 537 3HZ LYS 60 HZ3 LYS 60 72.728 -13.256 4.685 538 H SER 61 HN SER 61 79.249 -11.128 2.111 539 HA SER 61 HA SER 61 78.694 -8.175 2.190 540 1HB SER 61 HB2 SER 61 78.855 -10.142 4.474 541 2HB SER 61 HB1 SER 61 78.979 -8.402 4.703 542 HG SER 61 HG SER 61 76.799 -9.789 4.572 543 H PHE 62 HN PHE 62 80.357 -6.906 3.246 544 HA PHE 62 HA PHE 62 83.089 -8.126 3.259 545 1HB PHE 62 HB2 PHE 62 82.727 -6.931 1.095 546 2HB PHE 62 HB1 PHE 62 82.352 -5.463 1.996 547 HD1 PHE 62 HD1 PHE 62 85.011 -8.123 1.934 548 HD2 PHE 62 HD2 PHE 62 84.104 -3.939 2.299 549 HE1 PHE 62 HE1 PHE 62 87.429 -7.611 2.100 550 HE2 PHE 62 HE2 PHE 62 86.528 -3.435 2.458 551 HZ PHE 62 HZ PHE 62 88.187 -5.269 2.361 552 H THR 63 HN THR 63 84.398 -7.302 4.925 553 HA THR 63 HA THR 63 83.310 -5.010 6.528 554 HB THR 63 HB THR 63 84.135 -7.741 7.536 555 HG1 THR 63 HG1 THR 63 82.035 -7.370 8.611 556 1HG2 THR 63 HG21 THR 63 83.631 -6.641 9.823 557 2HG2 THR 63 HG22 THR 63 83.897 -5.109 8.989 558 3HG2 THR 63 HG23 THR 63 85.195 -6.302 9.080 559 H LEU 64 HN LEU 64 84.874 -3.713 7.458 560 HA LEU 64 HA LEU 64 87.739 -4.512 7.142 561 1HB LEU 64 HB2 LEU 64 88.062 -1.929 6.661 562 2HB LEU 64 HB1 LEU 64 87.669 -3.030 5.345 563 HG LEU 64 HG LEU 64 85.411 -1.775 6.880 564 1HD1 LEU 64 HD11 LEU 64 86.627 0.206 6.459 565 2HD1 LEU 64 HD12 LEU 64 85.513 0.099 5.097 566 3HD1 LEU 64 HD13 LEU 64 87.199 -0.372 4.893 567 1HD2 LEU 64 HD21 LEU 64 85.415 -2.003 3.902 568 2HD2 LEU 64 HD22 LEU 64 84.149 -2.394 5.056 569 3HD2 LEU 64 HD23 LEU 64 85.460 -3.529 4.783 570 H ASP 65 HN ASP 65 89.114 -3.515 8.704 571 HA ASP 65 HA ASP 65 87.703 -2.166 10.988 572 1HB ASP 65 HB2 ASP 65 89.889 -4.248 11.258 573 2HB ASP 65 HB1 ASP 65 88.975 -3.495 12.562 574 H PHE 66 HN PHE 66 88.715 -0.360 11.680 575 HA PHE 66 HA PHE 66 91.354 0.315 10.474 576 1HB PHE 66 HB2 PHE 66 89.290 1.981 11.946 577 2HB PHE 66 HB1 PHE 66 90.820 2.610 11.333 578 HD1 PHE 66 HD1 PHE 66 91.336 2.192 8.817 579 HD2 PHE 66 HD2 PHE 66 87.408 1.911 10.530 580 HE1 PHE 66 HE1 PHE 66 90.337 2.450 6.564 581 HE2 PHE 66 HE2 PHE 66 86.407 2.169 8.277 582 HZ PHE 66 HZ PHE 66 87.874 2.434 6.295 583 H GLY 67 HN GLY 67 90.191 -1.142 13.174 584 1HA GLY 67 HA2 GLY 67 91.498 -1.830 15.056 585 2HA GLY 67 HA1 GLY 67 92.653 -0.544 14.701 586 H ASP 68 HN ASP 68 90.033 1.173 14.375 587 HA ASP 68 HA ASP 68 90.114 2.175 17.131 588 1HB ASP 68 HB2 ASP 68 88.208 3.172 15.034 589 2HB ASP 68 HB1 ASP 68 89.020 4.070 16.311 590 H TYR 69 HN TYR 69 89.203 0.019 17.919 591 HA TYR 69 HA TYR 69 86.689 -1.022 17.415 592 1HB TYR 69 HB2 TYR 69 88.188 -2.008 19.068 593 2HB TYR 69 HB1 TYR 69 87.996 -0.601 20.116 594 HD1 TYR 69 HD1 TYR 69 86.150 -0.418 21.597 595 HD2 TYR 69 HD2 TYR 69 86.146 -3.407 18.516 596 HE1 TYR 69 HE1 TYR 69 84.126 -1.448 22.600 597 HE2 TYR 69 HE2 TYR 69 84.123 -4.439 19.516 598 HH TYR 69 HH TYR 69 82.919 -3.475 22.633 599 H GLN 70 HN GLN 70 87.468 1.828 19.362 600 HA GLN 70 HA GLN 70 84.903 2.374 20.405 601 1HB GLN 70 HB2 GLN 70 85.657 4.738 20.506 602 2HB GLN 70 HB1 GLN 70 86.884 3.630 21.098 603 1HG GLN 70 HG2 GLN 70 87.794 3.678 18.675 604 2HG GLN 70 HG1 GLN 70 86.801 5.119 18.491 605 1HE2 GLN 70 HE21 GLN 70 89.881 4.638 18.764 606 2HE2 GLN 70 HE22 GLN 70 90.342 5.771 19.941 607 H ASP 71 HN ASP 71 86.342 3.493 17.324 608 HA ASP 71 HA ASP 71 84.021 4.894 16.442 609 1HB ASP 71 HB2 ASP 71 86.430 4.938 15.502 610 2HB ASP 71 HB1 ASP 71 85.947 3.519 14.583 611 H GLY 72 HN GLY 72 85.016 1.538 16.221 612 1HA GLY 72 HA2 GLY 72 83.429 -0.282 16.085 613 2HA GLY 72 HA1 GLY 72 82.266 0.816 15.345 614 H TYR 73 HN TYR 73 82.983 -1.727 14.249 615 HA TYR 73 HA TYR 73 84.912 -1.351 12.109 616 1HB TYR 73 HB2 TYR 73 82.738 -3.449 12.333 617 2HB TYR 73 HB1 TYR 73 84.193 -3.539 11.349 618 HD1 TYR 73 HD1 TYR 73 86.451 -3.136 12.690 619 HD2 TYR 73 HD2 TYR 73 82.779 -4.494 14.432 620 HE1 TYR 73 HE1 TYR 73 87.720 -4.100 14.588 621 HE2 TYR 73 HE2 TYR 73 84.038 -5.457 16.340 622 HH TYR 73 HH TYR 73 87.014 -4.649 17.171 623 H TYR 74 HN TYR 74 84.118 -1.770 9.776 624 HA TYR 74 HA TYR 74 81.551 -0.347 9.224 625 1HB TYR 74 HB2 TYR 74 83.488 1.186 8.889 626 2HB TYR 74 HB1 TYR 74 84.178 0.021 7.764 627 HD1 TYR 74 HD1 TYR 74 81.435 2.431 8.308 628 HD2 TYR 74 HD2 TYR 74 83.255 -0.306 5.548 629 HE1 TYR 74 HE1 TYR 74 80.089 3.396 6.463 630 HE2 TYR 74 HE2 TYR 74 81.912 0.656 3.701 631 HH TYR 74 HH TYR 74 79.298 2.848 4.287 632 H SER 75 HN SER 75 80.362 -1.997 8.384 633 HA SER 75 HA SER 75 81.565 -3.648 6.204 634 1HB SER 75 HB2 SER 75 80.495 -5.586 7.024 635 2HB SER 75 HB1 SER 75 81.158 -4.823 8.464 636 HG SER 75 HG SER 75 78.972 -3.732 8.480 637 H VAL 76 HN VAL 76 80.108 -4.366 4.592 638 HA VAL 76 HA VAL 76 77.386 -3.218 4.522 639 HB VAL 76 HB VAL 76 77.835 -2.169 2.276 640 1HG1 VAL 76 HG11 VAL 76 78.751 -0.141 3.185 641 2HG1 VAL 76 HG12 VAL 76 79.595 -1.018 4.460 642 3HG1 VAL 76 HG13 VAL 76 77.836 -0.905 4.485 643 1HG2 VAL 76 HG21 VAL 76 80.193 -1.723 1.689 644 2HG2 VAL 76 HG22 VAL 76 79.885 -3.457 1.766 645 3HG2 VAL 76 HG23 VAL 76 80.722 -2.650 3.092 646 H GLN 77 HN GLN 77 76.346 -3.933 2.330 647 HA GLN 77 HA GLN 77 76.835 -6.785 2.063 648 1HB GLN 77 HB2 GLN 77 74.903 -4.808 0.876 649 2HB GLN 77 HB1 GLN 77 75.023 -6.426 0.193 650 1HG GLN 77 HG2 GLN 77 74.688 -6.064 3.171 651 2HG GLN 77 HG1 GLN 77 73.292 -5.978 2.103 652 1HE2 GLN 77 HE21 GLN 77 72.252 -7.974 2.198 653 2HE2 GLN 77 HE22 GLN 77 73.031 -9.480 2.120 654 H THR 78 HN THR 78 77.899 -7.813 0.408 655 HA THR 78 HA THR 78 78.674 -6.298 -2.017 656 HB THR 78 HB THR 78 81.026 -6.945 -1.808 657 HG1 THR 78 HG1 THR 78 80.093 -8.650 -0.094 658 1HG2 THR 78 HG21 THR 78 80.315 -5.678 0.832 659 2HG2 THR 78 HG22 THR 78 80.040 -4.815 -0.680 660 3HG2 THR 78 HG23 THR 78 81.669 -5.315 -0.238 661 H THR 79 HN THR 79 78.155 -7.609 -3.661 662 HA THR 79 HA THR 79 77.501 -10.381 -3.332 663 HB THR 79 HB THR 79 78.248 -8.898 -5.869 664 HG1 THR 79 HG1 THR 79 75.644 -9.431 -4.944 665 1HG2 THR 79 HG21 THR 79 76.730 -10.653 -6.889 666 2HG2 THR 79 HG22 THR 79 76.782 -11.490 -5.337 667 3HG2 THR 79 HG23 THR 79 78.263 -11.264 -6.267 668 H GLU 80 HN GLU 80 80.433 -8.658 -4.056 669 HA GLU 80 HA GLU 80 81.884 -11.163 -4.686 670 1HB GLU 80 HB2 GLU 80 83.052 -8.386 -4.647 671 2HB GLU 80 HB1 GLU 80 83.613 -9.798 -5.541 672 1HG GLU 80 HG2 GLU 80 82.523 -8.492 -7.177 673 2HG GLU 80 HG1 GLU 80 81.326 -9.709 -6.748 674 H GLY 81 HN GLY 81 82.789 -8.296 -2.832 675 1HA GLY 81 HA2 GLY 81 83.705 -8.098 -0.673 676 2HA GLY 81 HA1 GLY 81 83.055 -9.699 -0.324 677 H GLU 82 HN GLU 82 84.416 -11.042 -2.497 678 HA GLU 82 HA GLU 82 86.981 -11.492 -1.205 679 1HB GLU 82 HB2 GLU 82 85.983 -13.425 -2.153 680 2HB GLU 82 HB1 GLU 82 85.603 -12.591 -3.654 681 1HG GLU 82 HG2 GLU 82 87.826 -12.638 -4.394 682 2HG GLU 82 HG1 GLU 82 88.455 -12.960 -2.785 683 H GLN 83 HN GLN 83 86.076 -10.460 -4.486 684 HA GLN 83 HA GLN 83 88.609 -9.713 -5.417 685 1HB GLN 83 HB2 GLN 83 86.104 -8.123 -5.970 686 2HB GLN 83 HB1 GLN 83 87.499 -8.305 -7.017 687 1HG GLN 83 HG2 GLN 83 86.989 -10.629 -7.394 688 2HG GLN 83 HG1 GLN 83 85.721 -10.593 -6.182 689 1HE2 GLN 83 HE21 GLN 83 84.184 -11.255 -7.886 690 2HE2 GLN 83 HE22 GLN 83 83.598 -10.108 -8.988 691 H ILE 84 HN ILE 84 86.240 -7.737 -3.704 692 HA ILE 84 HA ILE 84 87.743 -5.354 -3.499 693 HB ILE 84 HB ILE 84 85.934 -6.555 -1.377 694 1HG1 ILE 84 HG12 ILE 84 85.263 -4.785 -3.752 695 2HG1 ILE 84 HG11 ILE 84 84.860 -6.495 -3.610 696 1HG2 ILE 84 HG21 ILE 84 85.562 -4.221 -0.727 697 2HG2 ILE 84 HG22 ILE 84 86.628 -3.672 -2.020 698 3HG2 ILE 84 HG23 ILE 84 87.282 -4.592 -0.666 699 1HD1 ILE 84 HD11 ILE 84 83.660 -5.839 -1.418 700 2HD1 ILE 84 HD12 ILE 84 82.887 -5.376 -2.934 701 3HD1 ILE 84 HD13 ILE 84 83.785 -4.179 -2.002 702 H ALA 85 HN ALA 85 87.926 -8.383 -1.741 703 HA ALA 85 HA ALA 85 89.916 -7.354 0.171 704 1HB ALA 85 HB1 ALA 85 89.285 -10.273 -0.247 705 2HB ALA 85 HB2 ALA 85 88.128 -9.218 0.559 706 3HB ALA 85 HB3 ALA 85 89.739 -9.434 1.238 707 H GLN 86 HN GLN 86 89.845 -8.993 -2.910 708 HA GLN 86 HA GLN 86 92.636 -9.881 -2.718 709 1HB GLN 86 HB2 GLN 86 90.773 -11.044 -4.034 710 2HB GLN 86 HB1 GLN 86 90.955 -9.754 -5.210 711 1HG GLN 86 HG2 GLN 86 93.455 -10.332 -5.203 712 2HG GLN 86 HG1 GLN 86 92.987 -11.810 -4.375 713 1HE2 GLN 86 HE21 GLN 86 94.121 -12.252 -6.795 714 2HE2 GLN 86 HE22 GLN 86 92.959 -12.640 -7.965 715 H LEU 87 HN LEU 87 90.793 -7.292 -4.227 716 HA LEU 87 HA LEU 87 93.048 -6.214 -5.675 717 1HB LEU 87 HB2 LEU 87 90.797 -5.682 -6.429 718 2HB LEU 87 HB1 LEU 87 90.391 -5.000 -4.856 719 HG LEU 87 HG LEU 87 91.978 -3.190 -5.162 720 1HD1 LEU 87 HD11 LEU 87 92.804 -4.820 -7.565 721 2HD1 LEU 87 HD12 LEU 87 93.815 -4.100 -6.312 722 3HD1 LEU 87 HD13 LEU 87 93.080 -3.079 -7.545 723 1HD2 LEU 87 HD21 LEU 87 91.038 -2.216 -7.353 724 2HD2 LEU 87 HD22 LEU 87 89.865 -2.671 -6.118 725 3HD2 LEU 87 HD23 LEU 87 90.140 -3.726 -7.505 726 H ILE 88 HN ILE 88 91.470 -5.584 -2.597 727 HA ILE 88 HA ILE 88 93.163 -3.370 -1.849 728 HB ILE 88 HB ILE 88 91.361 -5.261 -0.322 729 1HG1 ILE 88 HG12 ILE 88 91.210 -2.270 -0.807 730 2HG1 ILE 88 HG11 ILE 88 90.402 -3.470 -1.813 731 1HG2 ILE 88 HG21 ILE 88 93.142 -3.044 0.733 732 2HG2 ILE 88 HG22 ILE 88 93.043 -4.712 1.296 733 3HG2 ILE 88 HG23 ILE 88 91.717 -3.598 1.610 734 1HD1 ILE 88 HD11 ILE 88 89.348 -4.322 0.390 735 2HD1 ILE 88 HD12 ILE 88 88.743 -2.802 -0.267 736 3HD1 ILE 88 HD13 ILE 88 89.881 -2.789 1.079 737 H ALA 89 HN ALA 89 93.122 -6.822 -0.946 738 HA ALA 89 HA ALA 89 95.488 -6.800 0.632 739 1HB ALA 89 HB1 ALA 89 95.610 -9.233 0.104 740 2HB ALA 89 HB2 ALA 89 94.353 -9.008 -1.113 741 3HB ALA 89 HB3 ALA 89 93.990 -8.736 0.592 742 H GLY 90 HN GLY 90 95.019 -6.433 -2.741 743 1HA GLY 90 HA2 GLY 90 97.752 -7.281 -3.458 744 2HA GLY 90 HA1 GLY 90 96.528 -6.677 -4.570 745 H TYR 91 HN TYR 91 96.004 -4.264 -2.837 746 HA TYR 91 HA TYR 91 98.130 -2.620 -3.987 747 1HB TYR 91 HB2 TYR 91 95.638 -2.065 -2.389 748 2HB TYR 91 HB1 TYR 91 96.840 -0.795 -2.572 749 HD1 TYR 91 HD1 TYR 91 93.854 -1.844 -3.863 750 HD2 TYR 91 HD2 TYR 91 97.795 -0.788 -5.231 751 HE1 TYR 91 HE1 TYR 91 92.936 -1.267 -6.087 752 HE2 TYR 91 HE2 TYR 91 96.870 -0.237 -7.456 753 HH TYR 91 HH TYR 91 93.460 -0.803 -8.227 754 H ILE 92 HN ILE 92 97.381 -3.997 -0.879 755 HA ILE 92 HA ILE 92 99.045 -2.291 0.710 756 HB ILE 92 HB ILE 92 98.182 -5.156 1.162 757 1HG1 ILE 92 HG12 ILE 92 97.022 -2.542 2.178 758 2HG1 ILE 92 HG11 ILE 92 96.363 -3.460 0.825 759 1HG2 ILE 92 HG21 ILE 92 99.324 -3.061 3.038 760 2HG2 ILE 92 HG22 ILE 92 100.065 -4.603 2.607 761 3HG2 ILE 92 HG23 ILE 92 98.591 -4.573 3.572 762 1HD1 ILE 92 HD11 ILE 92 95.104 -4.099 2.768 763 2HD1 ILE 92 HD12 ILE 92 96.573 -4.335 3.715 764 3HD1 ILE 92 HD13 ILE 92 96.186 -5.441 2.400 765 H ASP 93 HN ASP 93 99.732 -4.988 -1.367 766 HA ASP 93 HA ASP 93 102.400 -5.460 -0.231 767 1HB ASP 93 HB2 ASP 93 100.912 -6.549 -2.628 768 2HB ASP 93 HB1 ASP 93 102.585 -6.976 -2.278 769 H ILE 94 HN ILE 94 100.973 -3.461 -2.662 770 HA ILE 94 HA ILE 94 103.495 -3.057 -4.126 771 HB ILE 94 HB ILE 94 100.845 -1.610 -4.368 772 1HG1 ILE 94 HG12 ILE 94 101.974 -3.871 -6.048 773 2HG1 ILE 94 HG11 ILE 94 100.787 -4.107 -4.765 774 1HG2 ILE 94 HG21 ILE 94 101.772 -1.083 -6.653 775 2HG2 ILE 94 HG22 ILE 94 103.311 -1.766 -6.126 776 3HG2 ILE 94 HG23 ILE 94 102.666 -0.328 -5.333 777 1HD1 ILE 94 HD11 ILE 94 99.534 -3.939 -6.789 778 2HD1 ILE 94 HD12 ILE 94 100.460 -2.539 -7.329 779 3HD1 ILE 94 HD13 ILE 94 99.339 -2.388 -5.976 780 H ILE 95 HN ILE 95 101.724 -1.532 -1.542 781 HA ILE 95 HA ILE 95 103.203 1.002 -1.771 782 HB ILE 95 HB ILE 95 102.071 1.538 0.382 783 1HG1 ILE 95 HG12 ILE 95 100.997 -1.280 0.046 784 2HG1 ILE 95 HG11 ILE 95 101.992 -0.679 1.372 785 1HG2 ILE 95 HG21 ILE 95 101.015 1.832 -1.922 786 2HG2 ILE 95 HG22 ILE 95 99.889 1.766 -0.565 787 3HG2 ILE 95 HG23 ILE 95 100.114 0.351 -1.594 788 1HD1 ILE 95 HD11 ILE 95 99.767 -0.647 2.211 789 2HD1 ILE 95 HD12 ILE 95 99.134 0.052 0.721 790 3HD1 ILE 95 HD13 ILE 95 100.129 1.029 1.800 791 H LEU 96 HN LEU 96 103.309 -1.956 0.091 792 HA LEU 96 HA LEU 96 105.403 -1.000 1.892 793 1HB LEU 96 HB2 LEU 96 103.877 -3.529 1.431 794 2HB LEU 96 HB1 LEU 96 105.424 -3.676 2.265 795 HG LEU 96 HG LEU 96 103.416 -1.600 3.160 796 1HD1 LEU 96 HD11 LEU 96 102.476 -3.235 4.739 797 2HD1 LEU 96 HD12 LEU 96 103.481 -4.503 4.036 798 3HD1 LEU 96 HD13 LEU 96 102.205 -3.755 3.076 799 1HD2 LEU 96 HD21 LEU 96 104.526 -2.077 5.364 800 2HD2 LEU 96 HD22 LEU 96 105.647 -1.476 4.145 801 3HD2 LEU 96 HD23 LEU 96 105.609 -3.195 4.536 802 H LYS 97 HN LYS 97 105.241 -2.550 -1.205 803 HA LYS 97 HA LYS 97 107.859 -3.736 -1.199 804 1HB LYS 97 HB2 LYS 97 106.086 -4.321 -2.830 805 2HB LYS 97 HB1 LYS 97 106.244 -2.722 -3.547 806 1HG LYS 97 HG2 LYS 97 108.804 -4.232 -3.287 807 2HG LYS 97 HG1 LYS 97 107.642 -4.931 -4.405 808 1HD LYS 97 HD2 LYS 97 107.600 -3.010 -5.772 809 2HD LYS 97 HD1 LYS 97 108.316 -2.001 -4.521 810 1HE LYS 97 HE2 LYS 97 109.980 -2.543 -6.259 811 2HE LYS 97 HE1 LYS 97 110.435 -3.258 -4.712 812 1HZ LYS 97 HZ1 LYS 97 108.745 -4.906 -6.390 813 2HZ LYS 97 HZ2 LYS 97 110.113 -5.327 -5.473 814 3HZ LYS 97 HZ3 LYS 97 110.299 -4.618 -7.006 815 H LYS 98 HN LYS 98 106.655 -0.520 -2.081 816 HA LYS 98 HA LYS 98 109.123 0.435 -3.194 817 1HB LYS 98 HB2 LYS 98 106.969 2.046 -1.795 818 2HB LYS 98 HB1 LYS 98 108.150 2.650 -2.955 819 1HG LYS 98 HG2 LYS 98 106.053 0.549 -3.571 820 2HG LYS 98 HG1 LYS 98 105.905 2.258 -3.978 821 1HD LYS 98 HD2 LYS 98 108.204 1.925 -5.181 822 2HD LYS 98 HD1 LYS 98 107.810 0.208 -5.099 823 1HE LYS 98 HE2 LYS 98 105.654 0.665 -6.242 824 2HE LYS 98 HE1 LYS 98 106.103 2.365 -6.373 825 1HZ LYS 98 HZ1 LYS 98 108.212 0.760 -7.321 826 2HZ LYS 98 HZ2 LYS 98 107.288 1.909 -8.166 827 3HZ LYS 98 HZ3 LYS 98 106.777 0.290 -8.094 828 H LYS 99 HN LYS 99 107.694 0.755 0.063 829 HA LYS 99 HA LYS 99 109.838 2.211 1.214 830 1HB LYS 99 HB2 LYS 99 107.964 0.234 2.520 831 2HB LYS 99 HB1 LYS 99 108.969 1.394 3.380 832 1HG LYS 99 HG2 LYS 99 107.814 3.192 1.918 833 2HG LYS 99 HG1 LYS 99 106.638 1.937 1.541 834 1HD LYS 99 HD2 LYS 99 105.591 2.819 3.406 835 2HD LYS 99 HD1 LYS 99 106.637 1.665 4.227 836 1HE LYS 99 HE2 LYS 99 107.337 4.579 3.730 837 2HE LYS 99 HE1 LYS 99 106.713 3.942 5.250 838 1HZ LYS 99 HZ1 LYS 99 109.089 4.061 5.356 839 2HZ LYS 99 HZ2 LYS 99 109.251 3.173 3.916 840 3HZ LYS 99 HZ3 LYS 99 108.633 2.428 5.312 841 H LYS 100 HN LYS 100 109.296 -1.293 0.944 842 HA LYS 100 HA LYS 100 110.789 -3.080 1.210 843 1HB LYS 100 HB2 LYS 100 112.035 -1.467 -0.442 844 2HB LYS 100 HB1 LYS 100 113.070 -1.120 0.941 845 1HG LYS 100 HG2 LYS 100 112.528 -3.875 -0.216 846 2HG LYS 100 HG1 LYS 100 114.009 -2.942 -0.431 847 1HD LYS 100 HD2 LYS 100 114.085 -2.895 2.178 848 2HD LYS 100 HD1 LYS 100 112.945 -4.237 2.077 849 1HE LYS 100 HE2 LYS 100 115.224 -5.110 2.206 850 2HE LYS 100 HE1 LYS 100 114.549 -5.454 0.613 851 1HZ LYS 100 HZ1 LYS 100 116.916 -4.305 0.990 852 2HZ LYS 100 HZ2 LYS 100 115.938 -2.919 0.883 853 3HZ LYS 100 HZ3 LYS 100 115.964 -4.045 -0.389 854 1H SER 1 HT1 SER 1 88.143 -18.387 10.014 855 2H SER 1 HT2 SER 1 89.144 -17.043 9.735 856 3H SER 1 HT3 SER 1 88.075 -17.575 8.526 857 HA SER 1 HA SER 1 86.239 -16.695 9.527 858 1HB SER 1 HB2 SER 1 86.224 -17.733 11.630 859 2HB SER 1 HB1 SER 1 87.833 -17.147 12.038 860 HG SER 1 HG SER 1 86.293 -15.043 11.578 861 H TRP 2 HN TRP 2 89.365 -15.640 9.208 862 HA TRP 2 HA TRP 2 88.535 -12.874 8.902 863 1HB TRP 2 HB2 TRP 2 90.049 -13.747 11.350 864 2HB TRP 2 HB1 TRP 2 90.429 -12.180 10.646 865 HD1 TRP 2 HD1 TRP 2 88.051 -13.835 12.924 866 HE1 TRP 2 HE1 TRP 2 86.127 -12.229 13.536 867 HE3 TRP 2 HE3 TRP 2 88.814 -10.199 9.437 868 HZ2 TRP 2 HZ2 TRP 2 85.059 -9.717 12.655 869 HZ3 TRP 2 HZ3 TRP 2 87.341 -8.208 9.344 870 HH2 TRP 2 HH2 TRP 2 85.468 -7.964 10.945 871 H VAL 3 HN VAL 3 90.711 -11.510 8.636 872 HA VAL 3 HA VAL 3 92.978 -12.998 7.588 873 HB VAL 3 HB VAL 3 91.652 -13.229 5.628 874 1HG1 VAL 3 HG11 VAL 3 90.915 -10.324 6.026 875 2HG1 VAL 3 HG12 VAL 3 89.852 -11.713 6.274 876 3HG1 VAL 3 HG13 VAL 3 90.418 -11.312 4.653 877 1HG2 VAL 3 HG21 VAL 3 93.990 -12.127 5.405 878 2HG2 VAL 3 HG22 VAL 3 93.103 -10.638 5.065 879 3HG2 VAL 3 HG23 VAL 3 92.908 -12.040 4.012 880 1HN PTR 4 HN PTR 4 94.805 -11.658 7.562 881 HA PTR 4 HA PTR 4 94.358 -8.766 8.266 882 1HB PTR 4 HB1 PTR 4 96.509 -9.021 9.599 883 2HB PTR 4 HB2 PTR 4 96.352 -10.760 9.366 884 HD1 PTR 4 HD1 PTR 4 93.971 -11.768 9.965 885 HD2 PTR 4 HD2 PTR 4 95.501 -8.046 11.477 886 HE1 PTR 4 HE1 PTR 4 92.399 -11.894 11.876 887 HE2 PTR 4 HE2 PTR 4 93.925 -8.174 13.384 888 H SER 5 HN SER 5 96.957 -7.930 8.238 889 HA SER 5 HA SER 5 98.247 -8.739 5.724 890 1HB SER 5 HB2 SER 5 97.464 -7.011 4.452 891 2HB SER 5 HB1 SER 5 96.377 -6.593 5.768 892 HG SER 5 HG SER 5 97.797 -5.124 6.491 893 HA PRO 6 HA PRO 6 101.863 -7.513 7.893 894 1HB PRO 6 HB2 PRO 6 103.121 -5.832 5.929 895 2HB PRO 6 HB1 PRO 6 103.406 -7.553 6.201 896 1HG PRO 6 HG2 PRO 6 101.931 -6.283 4.008 897 2HG PRO 6 HG1 PRO 6 102.434 -7.973 4.167 898 1HD PRO 6 HD2 PRO 6 99.779 -6.957 4.438 899 2HD PRO 6 HD1 PRO 6 100.327 -8.605 4.809 900 H LEU 7 HN LEU 7 101.866 -4.522 6.022 901 HA LEU 7 HA LEU 7 101.903 -2.305 6.827 902 1HB LEU 7 HB2 LEU 7 99.295 -3.474 7.802 903 2HB LEU 7 HB1 LEU 7 99.663 -1.757 7.905 904 HG LEU 7 HG LEU 7 99.794 -3.337 5.322 905 1HD1 LEU 7 HD11 LEU 7 97.547 -1.576 6.343 906 2HD1 LEU 7 HD12 LEU 7 97.498 -3.337 6.262 907 3HD1 LEU 7 HD13 LEU 7 97.605 -2.389 4.778 908 1HD2 LEU 7 HD21 LEU 7 100.099 -0.434 6.074 909 2HD2 LEU 7 HD22 LEU 7 99.394 -0.829 4.510 910 3HD2 LEU 7 HD23 LEU 7 101.014 -1.391 4.908 911 H HIS 8 HN HIS 8 103.735 -2.824 8.339 912 HA HIS 8 HA HIS 8 103.105 -3.332 11.138 913 1HB HIS 8 HB2 HIS 8 105.674 -2.370 9.843 914 2HB HIS 8 HB1 HIS 8 105.513 -2.971 11.491 915 HD1 HIS 8 HD1 HIS 8 104.388 -5.522 11.580 916 HD2 HIS 8 HD2 HIS 8 106.308 -4.377 8.062 917 HE1 HIS 8 HE1 HIS 8 104.903 -7.657 10.319 Start of MODEL 19 1 1H LEU 1 HT1 LEU 1 86.979 14.932 -12.290 2 2H LEU 1 HT2 LEU 1 87.298 13.264 -12.235 3 3H LEU 1 HT3 LEU 1 88.303 14.295 -13.137 4 HA LEU 1 HA LEU 1 89.611 14.157 -11.319 5 1HB LEU 1 HB2 LEU 1 87.546 16.078 -10.216 6 2HB LEU 1 HB1 LEU 1 89.281 16.070 -9.897 7 HG LEU 1 HG LEU 1 87.944 16.655 -12.557 8 1HD1 LEU 1 HD11 LEU 1 89.626 18.420 -10.753 9 2HD1 LEU 1 HD12 LEU 1 87.864 18.458 -10.815 10 3HD1 LEU 1 HD13 LEU 1 88.806 18.905 -12.237 11 1HD2 LEU 1 HD21 LEU 1 90.404 17.284 -13.132 12 2HD2 LEU 1 HD22 LEU 1 89.973 15.576 -13.128 13 3HD2 LEU 1 HD23 LEU 1 90.834 16.270 -11.754 14 H LYS 2 HN LYS 2 89.595 14.068 -8.755 15 HA LYS 2 HA LYS 2 89.184 12.591 -6.980 16 1HB LYS 2 HB2 LYS 2 86.453 13.570 -7.812 17 2HB LYS 2 HB1 LYS 2 86.664 12.493 -6.430 18 1HG LYS 2 HG2 LYS 2 86.666 14.915 -5.802 19 2HG LYS 2 HG1 LYS 2 88.145 14.079 -5.347 20 1HD LYS 2 HD2 LYS 2 89.378 15.057 -7.114 21 2HD LYS 2 HD1 LYS 2 87.917 15.556 -7.967 22 1HE LYS 2 HE2 LYS 2 88.777 16.640 -5.271 23 2HE LYS 2 HE1 LYS 2 89.069 17.452 -6.809 24 1HZ LYS 2 HZ1 LYS 2 86.637 17.373 -7.189 25 2HZ LYS 2 HZ2 LYS 2 87.086 18.329 -5.858 26 3HZ LYS 2 HZ3 LYS 2 86.439 16.778 -5.613 27 H THR 3 HN THR 3 89.087 11.594 -9.904 28 HA THR 3 HA THR 3 88.174 8.856 -9.212 29 HB THR 3 HB THR 3 86.229 9.965 -10.300 30 HG1 THR 3 HG1 THR 3 86.917 7.707 -10.688 31 1HG2 THR 3 HG21 THR 3 87.721 10.080 -12.892 32 2HG2 THR 3 HG22 THR 3 87.953 11.408 -11.754 33 3HG2 THR 3 HG23 THR 3 86.339 11.032 -12.356 34 H TYR 4 HN TYR 4 90.782 9.665 -9.386 35 HA TYR 4 HA TYR 4 91.908 9.420 -12.026 36 1HB TYR 4 HB2 TYR 4 92.963 10.378 -9.837 37 2HB TYR 4 HB1 TYR 4 93.410 8.708 -9.508 38 HD1 TYR 4 HD1 TYR 4 94.328 11.694 -11.214 39 HD2 TYR 4 HD2 TYR 4 94.617 7.420 -11.444 40 HE1 TYR 4 HE1 TYR 4 96.256 11.910 -12.760 41 HE2 TYR 4 HE2 TYR 4 96.545 7.631 -12.988 42 HH TYR 4 HH TYR 4 98.178 10.587 -13.496 43 H GLY 5 HN GLY 5 90.865 7.517 -12.880 44 1HA GLY 5 HA2 GLY 5 90.575 5.201 -13.224 45 2HA GLY 5 HA1 GLY 5 92.315 5.168 -12.949 46 H VAL 6 HN VAL 6 89.201 5.069 -11.238 47 HA VAL 6 HA VAL 6 90.495 3.347 -9.145 48 HB VAL 6 HB VAL 6 88.298 5.388 -8.679 49 1HG1 VAL 6 HG11 VAL 6 88.108 3.618 -7.092 50 2HG1 VAL 6 HG12 VAL 6 88.994 4.898 -6.265 51 3HG1 VAL 6 HG13 VAL 6 89.857 3.500 -6.902 52 1HG2 VAL 6 HG21 VAL 6 91.286 5.461 -8.189 53 2HG2 VAL 6 HG22 VAL 6 90.160 6.527 -7.348 54 3HG2 VAL 6 HG23 VAL 6 90.313 6.615 -9.103 55 H SER 7 HN SER 7 89.317 1.522 -8.573 56 HA SER 7 HA SER 7 87.029 0.863 -10.325 57 1HB SER 7 HB2 SER 7 88.945 -0.733 -9.794 58 2HB SER 7 HB1 SER 7 88.246 -0.885 -8.189 59 HG SER 7 HG SER 7 87.581 -2.387 -10.022 60 H PHE 8 HN PHE 8 85.069 1.422 -9.679 61 HA PHE 8 HA PHE 8 84.413 1.839 -6.825 62 1HB PHE 8 HB2 PHE 8 82.387 1.966 -9.056 63 2HB PHE 8 HB1 PHE 8 82.499 2.943 -7.590 64 HD1 PHE 8 HD1 PHE 8 83.226 2.810 -11.081 65 HD2 PHE 8 HD2 PHE 8 84.600 4.477 -7.368 66 HE1 PHE 8 HE1 PHE 8 84.491 4.542 -12.327 67 HE2 PHE 8 HE2 PHE 8 85.864 6.210 -8.614 68 HZ PHE 8 HZ PHE 8 85.809 6.239 -11.093 69 H PHE 9 HN PHE 9 82.469 0.738 -5.910 70 HA PHE 9 HA PHE 9 81.770 -1.864 -7.189 71 1HB PHE 9 HB2 PHE 9 83.080 -1.467 -4.498 72 2HB PHE 9 HB1 PHE 9 81.988 -2.826 -4.745 73 HD1 PHE 9 HD1 PHE 9 85.104 -1.214 -6.002 74 HD2 PHE 9 HD2 PHE 9 82.668 -4.753 -5.966 75 HE1 PHE 9 HE1 PHE 9 86.931 -2.486 -7.097 76 HE2 PHE 9 HE2 PHE 9 84.495 -6.023 -7.063 77 HZ PHE 9 HZ PHE 9 86.626 -4.887 -7.629 78 H LEU 10 HN LEU 10 79.582 -2.166 -7.043 79 HA LEU 10 HA LEU 10 77.984 -0.224 -5.559 80 1HB LEU 10 HB2 LEU 10 77.247 -1.189 -7.752 81 2HB LEU 10 HB1 LEU 10 77.099 -2.760 -6.971 82 HG LEU 10 HG LEU 10 75.543 -1.435 -5.258 83 1HD1 LEU 10 HD11 LEU 10 74.280 0.348 -6.418 84 2HD1 LEU 10 HD12 LEU 10 75.411 0.253 -7.769 85 3HD1 LEU 10 HD13 LEU 10 75.973 0.781 -6.183 86 1HD2 LEU 10 HD21 LEU 10 74.613 -2.094 -8.074 87 2HD2 LEU 10 HD22 LEU 10 73.599 -2.013 -6.632 88 3HD2 LEU 10 HD23 LEU 10 74.824 -3.274 -6.779 89 H VAL 11 HN VAL 11 78.151 -0.456 -3.401 90 HA VAL 11 HA VAL 11 77.547 -3.149 -2.220 91 HB VAL 11 HB VAL 11 78.849 -2.527 -0.297 92 1HG1 VAL 11 HG11 VAL 11 81.031 -2.474 -1.238 93 2HG1 VAL 11 HG12 VAL 11 80.497 -1.535 -2.633 94 3HG1 VAL 11 HG13 VAL 11 80.038 -3.231 -2.483 95 1HG2 VAL 11 HG21 VAL 11 78.339 -0.221 0.003 96 2HG2 VAL 11 HG22 VAL 11 78.919 0.196 -1.609 97 3HG2 VAL 11 HG23 VAL 11 80.066 -0.257 -0.350 98 H LYS 12 HN LYS 12 75.969 -3.139 -0.556 99 HA LYS 12 HA LYS 12 74.315 -0.634 -0.470 100 1HB LYS 12 HB2 LYS 12 73.680 -3.546 -0.499 101 2HB LYS 12 HB1 LYS 12 72.695 -2.573 0.592 102 1HG LYS 12 HG2 LYS 12 71.922 -1.182 -1.180 103 2HG LYS 12 HG1 LYS 12 73.148 -1.795 -2.299 104 1HD LYS 12 HD2 LYS 12 72.097 -4.049 -2.159 105 2HD LYS 12 HD1 LYS 12 70.841 -3.369 -1.124 106 1HE LYS 12 HE2 LYS 12 69.999 -3.425 -3.400 107 2HE LYS 12 HE1 LYS 12 70.295 -1.744 -2.960 108 1HZ LYS 12 HZ1 LYS 12 71.671 -3.427 -4.884 109 2HZ LYS 12 HZ2 LYS 12 72.663 -2.410 -3.953 110 3HZ LYS 12 HZ3 LYS 12 71.413 -1.751 -4.895 111 H GLU 13 HN GLU 13 73.694 0.179 1.504 112 HA GLU 13 HA GLU 13 75.111 -0.953 3.902 113 1HB GLU 13 HB2 GLU 13 74.362 1.949 3.537 114 2HB GLU 13 HB1 GLU 13 75.501 1.249 4.684 115 1HG GLU 13 HG2 GLU 13 76.904 0.517 2.729 116 2HG GLU 13 HG1 GLU 13 75.821 1.426 1.679 117 H LYS 14 HN LYS 14 73.981 -0.534 5.940 118 HA LYS 14 HA LYS 14 71.010 -0.518 5.578 119 1HB LYS 14 HB2 LYS 14 72.128 -1.534 8.146 120 2HB LYS 14 HB1 LYS 14 70.846 -2.200 7.139 121 1HG LYS 14 HG2 LYS 14 73.823 -2.407 6.563 122 2HG LYS 14 HG1 LYS 14 72.826 -3.689 7.232 123 1HD LYS 14 HD2 LYS 14 71.887 -2.477 4.646 124 2HD LYS 14 HD1 LYS 14 73.324 -3.492 4.580 125 1HE LYS 14 HE2 LYS 14 71.302 -4.830 4.193 126 2HE LYS 14 HE1 LYS 14 72.086 -5.316 5.695 127 1HZ LYS 14 HZ1 LYS 14 69.844 -3.380 5.542 128 2HZ LYS 14 HZ2 LYS 14 70.528 -4.045 6.948 129 3HZ LYS 14 HZ3 LYS 14 69.650 -5.031 5.878 130 H MET 15 HN MET 15 70.434 1.577 5.908 131 HA MET 15 HA MET 15 71.766 3.326 7.763 132 1HB MET 15 HB2 MET 15 69.573 3.490 5.845 133 2HB MET 15 HB1 MET 15 69.170 4.375 7.308 134 1HG MET 15 HG2 MET 15 71.720 4.724 5.700 135 2HG MET 15 HG1 MET 15 70.328 5.807 5.644 136 1HE MET 15 HE1 MET 15 73.473 6.206 6.350 137 2HE MET 15 HE2 MET 15 73.433 7.437 7.610 138 3HE MET 15 HE3 MET 15 72.412 7.613 6.185 139 H LYS 16 HN LYS 16 70.929 4.150 9.745 140 HA LYS 16 HA LYS 16 70.390 2.629 11.830 141 1HB LYS 16 HB2 LYS 16 68.419 4.609 12.282 142 2HB LYS 16 HB1 LYS 16 70.102 4.667 12.770 143 1HG LYS 16 HG2 LYS 16 69.603 6.653 11.496 144 2HG LYS 16 HG1 LYS 16 70.671 5.636 10.546 145 1HD LYS 16 HD2 LYS 16 69.084 6.113 8.918 146 2HD LYS 16 HD1 LYS 16 68.327 4.680 9.609 147 1HE LYS 16 HE2 LYS 16 67.074 6.239 11.183 148 2HE LYS 16 HE1 LYS 16 67.673 7.578 10.204 149 1HZ LYS 16 HZ1 LYS 16 65.406 6.563 9.633 150 2HZ LYS 16 HZ2 LYS 16 66.299 5.290 8.947 151 3HZ LYS 16 HZ3 LYS 16 66.486 6.875 8.364 152 H GLY 17 HN GLY 17 67.269 4.015 10.986 153 1HA GLY 17 HA2 GLY 17 66.034 1.356 11.447 154 2HA GLY 17 HA1 GLY 17 65.182 2.897 11.390 155 H LYS 18 HN LYS 18 67.509 2.004 8.937 156 HA LYS 18 HA LYS 18 65.973 2.626 6.726 157 1HB LYS 18 HB2 LYS 18 67.488 1.463 5.391 158 2HB LYS 18 HB1 LYS 18 68.421 1.745 6.842 159 1HG LYS 18 HG2 LYS 18 67.014 -0.842 6.115 160 2HG LYS 18 HG1 LYS 18 68.734 -0.546 6.057 161 1HD LYS 18 HD2 LYS 18 68.947 -0.503 8.395 162 2HD LYS 18 HD1 LYS 18 67.231 -0.241 8.648 163 1HE LYS 18 HE2 LYS 18 68.151 -2.611 9.081 164 2HE LYS 18 HE1 LYS 18 66.685 -2.470 8.112 165 1HZ LYS 18 HZ1 LYS 18 68.940 -3.769 7.366 166 2HZ LYS 18 HZ2 LYS 18 69.099 -2.278 6.567 167 3HZ LYS 18 HZ3 LYS 18 67.721 -3.239 6.312 168 H ASN 19 HN ASN 19 64.291 1.846 5.681 169 HA ASN 19 HA ASN 19 63.083 -0.732 6.582 170 1HB ASN 19 HB2 ASN 19 61.737 1.486 6.366 171 2HB ASN 19 HB1 ASN 19 61.886 1.246 4.630 172 1HD2 ASN 19 HD21 ASN 19 60.208 0.052 3.724 173 2HD2 ASN 19 HD22 ASN 19 59.252 -1.076 4.558 174 H LYS 20 HN LYS 20 65.012 0.806 4.366 175 HA LYS 20 HA LYS 20 64.886 -1.432 2.394 176 1HB LYS 20 HB2 LYS 20 64.506 1.443 2.028 177 2HB LYS 20 HB1 LYS 20 65.818 0.857 1.026 178 1HG LYS 20 HG2 LYS 20 63.925 0.617 -0.341 179 2HG LYS 20 HG1 LYS 20 64.179 -0.999 0.289 180 1HD LYS 20 HD2 LYS 20 61.900 -0.767 0.698 181 2HD LYS 20 HD1 LYS 20 62.546 -0.159 2.219 182 1HE LYS 20 HE2 LYS 20 60.968 1.480 1.568 183 2HE LYS 20 HE1 LYS 20 62.514 2.167 1.073 184 1HZ LYS 20 HZ1 LYS 20 60.457 1.982 -0.560 185 2HZ LYS 20 HZ2 LYS 20 61.149 0.459 -0.854 186 3HZ LYS 20 HZ3 LYS 20 62.059 1.872 -1.105 187 H LEU 21 HN LEU 21 67.041 -0.909 0.926 188 HA LEU 21 HA LEU 21 69.332 -0.843 2.865 189 1HB LEU 21 HB2 LEU 21 69.468 -1.859 0.012 190 2HB LEU 21 HB1 LEU 21 70.533 -2.236 1.366 191 HG LEU 21 HG LEU 21 67.630 -3.079 1.102 192 1HD1 LEU 21 HD11 LEU 21 70.260 -4.536 0.820 193 2HD1 LEU 21 HD12 LEU 21 68.929 -4.455 -0.334 194 3HD1 LEU 21 HD13 LEU 21 68.752 -5.385 1.153 195 1HD2 LEU 21 HD21 LEU 21 68.028 -2.760 3.420 196 2HD2 LEU 21 HD22 LEU 21 69.676 -3.376 3.308 197 3HD2 LEU 21 HD23 LEU 21 68.308 -4.481 3.161 198 H VAL 22 HN VAL 22 71.252 0.407 2.106 199 HA VAL 22 HA VAL 22 70.399 2.667 0.310 200 HB VAL 22 HB VAL 22 72.320 2.498 2.621 201 1HG1 VAL 22 HG11 VAL 22 72.014 4.637 0.506 202 2HG1 VAL 22 HG12 VAL 22 73.497 3.855 1.053 203 3HG1 VAL 22 HG13 VAL 22 72.659 4.992 2.108 204 1HG2 VAL 22 HG21 VAL 22 70.866 4.197 3.570 205 2HG2 VAL 22 HG22 VAL 22 69.876 2.835 3.044 206 3HG2 VAL 22 HG23 VAL 22 69.950 4.302 2.067 207 HA PRO 23 HA PRO 23 73.544 0.677 -2.388 208 1HB PRO 23 HB2 PRO 23 72.959 2.966 -4.166 209 2HB PRO 23 HB1 PRO 23 72.831 1.251 -4.515 210 1HG PRO 23 HG2 PRO 23 70.658 2.932 -4.147 211 2HG PRO 23 HG1 PRO 23 70.606 1.181 -3.878 212 1HD PRO 23 HD2 PRO 23 70.627 3.373 -1.875 213 2HD PRO 23 HD1 PRO 23 70.074 1.690 -1.701 214 H ARG 24 HN ARG 24 75.718 1.265 -2.828 215 HA ARG 24 HA ARG 24 76.589 4.052 -2.469 216 1HB ARG 24 HB2 ARG 24 76.435 3.024 -0.128 217 2HB ARG 24 HB1 ARG 24 77.730 1.944 -0.620 218 1HG ARG 24 HG2 ARG 24 78.965 3.668 0.342 219 2HG ARG 24 HG1 ARG 24 78.941 4.194 -1.340 220 1HD ARG 24 HD2 ARG 24 78.295 6.138 -0.198 221 2HD ARG 24 HD1 ARG 24 76.736 5.442 -0.633 222 HE ARG 24 HE ARG 24 77.265 4.357 1.856 223 1HH1 ARG 24 HH21 ARG 24 77.162 7.508 0.464 224 2HH1 ARG 24 HH22 ARG 24 76.673 8.286 1.933 225 1HH2 ARG 24 HH11 ARG 24 76.628 5.354 3.783 226 2HH2 ARG 24 HH12 ARG 24 76.373 7.067 3.812 227 H LEU 25 HN LEU 25 78.651 4.397 -3.386 228 HA LEU 25 HA LEU 25 79.761 2.067 -4.906 229 1HB LEU 25 HB2 LEU 25 79.808 5.051 -5.348 230 2HB LEU 25 HB1 LEU 25 80.905 3.979 -6.211 231 HG LEU 25 HG LEU 25 77.885 3.693 -6.196 232 1HD1 LEU 25 HD11 LEU 25 77.883 4.743 -8.376 233 2HD1 LEU 25 HD12 LEU 25 79.644 4.829 -8.388 234 3HD1 LEU 25 HD13 LEU 25 78.722 5.821 -7.262 235 1HD2 LEU 25 HD21 LEU 25 78.641 1.599 -6.858 236 2HD2 LEU 25 HD22 LEU 25 80.146 2.224 -7.529 237 3HD2 LEU 25 HD23 LEU 25 78.635 2.410 -8.418 238 H LEU 26 HN LEU 26 81.925 1.523 -4.571 239 HA LEU 26 HA LEU 26 83.430 3.112 -2.520 240 1HB LEU 26 HB2 LEU 26 82.395 0.982 -1.647 241 2HB LEU 26 HB1 LEU 26 83.388 0.098 -2.795 242 HG LEU 26 HG LEU 26 85.401 1.326 -1.717 243 1HD1 LEU 26 HD11 LEU 26 83.220 1.839 0.323 244 2HD1 LEU 26 HD12 LEU 26 84.317 3.009 -0.403 245 3HD1 LEU 26 HD13 LEU 26 84.929 1.827 0.745 246 1HD2 LEU 26 HD21 LEU 26 83.843 -0.658 -0.030 247 2HD2 LEU 26 HD22 LEU 26 85.585 -0.386 0.015 248 3HD2 LEU 26 HD23 LEU 26 84.840 -1.095 -1.417 249 H GLY 27 HN GLY 27 85.044 4.006 -3.659 250 1HA GLY 27 HA2 GLY 27 86.337 2.658 -5.899 251 2HA GLY 27 HA1 GLY 27 86.710 4.267 -5.313 252 H ILE 28 HN ILE 28 88.139 1.428 -5.738 253 HA ILE 28 HA ILE 28 89.590 1.391 -3.122 254 HB ILE 28 HB ILE 28 89.888 -0.584 -5.399 255 1HG1 ILE 28 HG12 ILE 28 87.540 -0.628 -4.843 256 2HG1 ILE 28 HG11 ILE 28 88.290 -2.012 -4.053 257 1HG2 ILE 28 HG21 ILE 28 90.678 -2.045 -3.591 258 2HG2 ILE 28 HG22 ILE 28 90.370 -0.768 -2.414 259 3HG2 ILE 28 HG23 ILE 28 91.621 -0.556 -3.638 260 1HD1 ILE 28 HD11 ILE 28 88.551 -0.388 -2.015 261 2HD1 ILE 28 HD12 ILE 28 86.979 -1.109 -2.343 262 3HD1 ILE 28 HD13 ILE 28 87.304 0.551 -2.835 263 H THR 29 HN THR 29 91.327 2.752 -3.145 264 HA THR 29 HA THR 29 92.861 3.076 -5.692 265 HB THR 29 HB THR 29 93.430 4.716 -3.232 266 HG1 THR 29 HG1 THR 29 91.347 5.109 -3.197 267 1HG2 THR 29 HG21 THR 29 94.763 5.036 -5.269 268 2HG2 THR 29 HG22 THR 29 93.778 6.464 -4.952 269 3HG2 THR 29 HG23 THR 29 93.292 5.317 -6.201 270 H LYS 30 HN LYS 30 95.291 3.150 -5.377 271 HA LYS 30 HA LYS 30 96.127 0.764 -3.975 272 1HB LYS 30 HB2 LYS 30 98.404 1.424 -4.730 273 2HB LYS 30 HB1 LYS 30 97.229 1.446 -6.046 274 1HG LYS 30 HG2 LYS 30 96.912 3.895 -5.652 275 2HG LYS 30 HG1 LYS 30 98.194 3.831 -4.453 276 1HD LYS 30 HD2 LYS 30 99.338 4.520 -6.384 277 2HD LYS 30 HD1 LYS 30 99.634 2.783 -6.354 278 1HE LYS 30 HE2 LYS 30 97.960 2.382 -8.029 279 2HE LYS 30 HE1 LYS 30 97.343 4.029 -7.902 280 1HZ LYS 30 HZ1 LYS 30 98.926 4.795 -9.242 281 2HZ LYS 30 HZ2 LYS 30 99.184 3.176 -9.686 282 3HZ LYS 30 HZ3 LYS 30 100.150 3.896 -8.488 283 H GLU 31 HN GLU 31 96.048 4.157 -3.211 284 HA GLU 31 HA GLU 31 97.705 3.700 -0.765 285 1HB GLU 31 HB2 GLU 31 96.821 6.236 -2.155 286 2HB GLU 31 HB1 GLU 31 97.707 6.203 -0.637 287 1HG GLU 31 HG2 GLU 31 99.244 4.557 -2.281 288 2HG GLU 31 HG1 GLU 31 98.692 5.804 -3.385 289 H CYS 32 HN CYS 32 94.429 3.891 -1.695 290 HA CYS 32 HA CYS 32 93.570 3.851 1.062 291 1HB CYS 32 HB2 CYS 32 92.217 6.140 0.624 292 2HB CYS 32 HB1 CYS 32 93.833 6.142 1.312 293 HG CYS 32 HG CYS 32 94.563 6.353 -1.387 294 H VAL 33 HN VAL 33 91.172 3.930 1.251 295 HA VAL 33 HA VAL 33 89.855 2.823 -1.205 296 HB VAL 33 HB VAL 33 89.037 2.720 1.725 297 1HG1 VAL 33 HG11 VAL 33 87.828 1.477 -0.757 298 2HG1 VAL 33 HG12 VAL 33 87.082 2.685 0.288 299 3HG1 VAL 33 HG13 VAL 33 87.368 1.052 0.891 300 1HG2 VAL 33 HG21 VAL 33 90.011 0.485 -0.075 301 2HG2 VAL 33 HG22 VAL 33 89.694 0.398 1.658 302 3HG2 VAL 33 HG23 VAL 33 91.052 1.349 1.057 303 H MET 34 HN MET 34 88.173 4.078 -2.126 304 HA MET 34 HA MET 34 87.647 6.686 -0.769 305 1HB MET 34 HB2 MET 34 86.667 6.182 -3.536 306 2HB MET 34 HB1 MET 34 87.361 7.640 -2.836 307 1HG MET 34 HG2 MET 34 89.562 6.180 -2.712 308 2HG MET 34 HG1 MET 34 88.759 5.235 -3.965 309 1HE MET 34 HE1 MET 34 87.002 8.075 -5.106 310 2HE MET 34 HE2 MET 34 87.348 6.476 -5.754 311 3HE MET 34 HE3 MET 34 87.893 7.905 -6.623 312 H ARG 35 HN ARG 35 85.644 7.302 -0.102 313 HA ARG 35 HA ARG 35 83.489 5.231 -0.267 314 1HB ARG 35 HB2 ARG 35 83.782 7.818 1.294 315 2HB ARG 35 HB1 ARG 35 82.278 6.909 1.240 316 1HG ARG 35 HG2 ARG 35 83.909 4.889 1.965 317 2HG ARG 35 HG1 ARG 35 84.872 6.226 2.592 318 1HD ARG 35 HD2 ARG 35 82.184 5.243 3.473 319 2HD ARG 35 HD1 ARG 35 83.525 5.850 4.442 320 HE ARG 35 HE ARG 35 82.649 8.079 3.038 321 1HH1 ARG 35 HH21 ARG 35 81.227 5.665 5.052 322 2HH1 ARG 35 HH22 ARG 35 80.005 6.720 5.679 323 1HH2 ARG 35 HH11 ARG 35 81.063 9.469 3.849 324 2HH2 ARG 35 HH12 ARG 35 79.914 8.876 5.001 325 H VAL 36 HN VAL 36 82.205 5.408 -2.034 326 HA VAL 36 HA VAL 36 81.693 8.144 -3.142 327 HB VAL 36 HB VAL 36 81.874 5.529 -4.645 328 1HG1 VAL 36 HG11 VAL 36 80.403 7.293 -5.651 329 2HG1 VAL 36 HG12 VAL 36 81.824 6.948 -6.636 330 3HG1 VAL 36 HG13 VAL 36 81.778 8.397 -5.633 331 1HG2 VAL 36 HG21 VAL 36 84.081 6.001 -3.940 332 2HG2 VAL 36 HG22 VAL 36 83.866 7.736 -4.146 333 3HG2 VAL 36 HG23 VAL 36 83.990 6.691 -5.560 334 H ASP 37 HN ASP 37 79.611 8.727 -3.167 335 HA ASP 37 HA ASP 37 77.531 6.900 -2.292 336 1HB ASP 37 HB2 ASP 37 77.620 9.458 -1.951 337 2HB ASP 37 HB1 ASP 37 77.090 9.582 -3.628 338 H GLU 38 HN GLU 38 75.824 6.077 -3.584 339 HA GLU 38 HA GLU 38 76.548 5.678 -6.424 340 1HB GLU 38 HB2 GLU 38 75.715 3.876 -4.762 341 2HB GLU 38 HB1 GLU 38 74.137 4.613 -4.979 342 1HG GLU 38 HG2 GLU 38 75.828 3.637 -7.286 343 2HG GLU 38 HG1 GLU 38 74.609 2.649 -6.484 344 H LYS 39 HN LYS 39 74.459 7.418 -4.404 345 HA LYS 39 HA LYS 39 72.402 8.093 -6.286 346 1HB LYS 39 HB2 LYS 39 72.173 8.213 -3.819 347 2HB LYS 39 HB1 LYS 39 73.331 9.534 -3.807 348 1HG LYS 39 HG2 LYS 39 71.837 10.869 -5.253 349 2HG LYS 39 HG1 LYS 39 70.666 9.549 -5.250 350 1HD LYS 39 HD2 LYS 39 70.658 9.727 -2.711 351 2HD LYS 39 HD1 LYS 39 71.565 11.228 -2.902 352 1HE LYS 39 HE2 LYS 39 69.719 12.028 -4.446 353 2HE LYS 39 HE1 LYS 39 68.791 10.613 -3.948 354 1HZ LYS 39 HZ1 LYS 39 68.488 12.816 -2.681 355 2HZ LYS 39 HZ2 LYS 39 69.957 12.412 -1.927 356 3HZ LYS 39 HZ3 LYS 39 68.617 11.376 -1.794 357 H THR 40 HN THR 40 75.181 9.896 -4.993 358 HA THR 40 HA THR 40 74.917 11.858 -7.223 359 HB THR 40 HB THR 40 76.844 12.079 -4.908 360 HG1 THR 40 HG1 THR 40 75.261 12.803 -3.653 361 1HG2 THR 40 HG21 THR 40 76.458 14.495 -5.316 362 2HG2 THR 40 HG22 THR 40 75.363 14.081 -6.634 363 3HG2 THR 40 HG23 THR 40 77.074 13.676 -6.751 364 H LYS 41 HN LYS 41 76.635 9.023 -6.544 365 HA LYS 41 HA LYS 41 78.621 8.147 -7.462 366 1HB LYS 41 HB2 LYS 41 77.154 8.899 -9.503 367 2HB LYS 41 HB1 LYS 41 78.350 10.182 -9.670 368 1HG LYS 41 HG2 LYS 41 80.126 8.348 -9.593 369 2HG LYS 41 HG1 LYS 41 78.805 7.195 -9.783 370 1HD LYS 41 HD2 LYS 41 79.506 9.449 -11.686 371 2HD LYS 41 HD1 LYS 41 79.749 7.727 -11.974 372 1HE LYS 41 HE2 LYS 41 77.156 9.257 -11.816 373 2HE LYS 41 HE1 LYS 41 77.729 8.191 -13.098 374 1HZ LYS 41 HZ1 LYS 41 77.710 6.504 -11.059 375 2HZ LYS 41 HZ2 LYS 41 76.366 6.745 -12.070 376 3HZ LYS 41 HZ3 LYS 41 76.455 7.534 -10.568 377 H GLU 42 HN GLU 42 78.715 10.635 -5.713 378 HA GLU 42 HA GLU 42 81.284 11.830 -6.690 379 1HB GLU 42 HB2 GLU 42 78.940 12.955 -5.521 380 2HB GLU 42 HB1 GLU 42 80.221 13.150 -4.334 381 1HG GLU 42 HG2 GLU 42 80.192 15.090 -5.797 382 2HG GLU 42 HG1 GLU 42 81.645 14.152 -6.125 383 H VAL 43 HN VAL 43 82.931 12.242 -4.977 384 HA VAL 43 HA VAL 43 83.296 9.845 -3.320 385 HB VAL 43 HB VAL 43 84.992 12.339 -3.649 386 1HG1 VAL 43 HG11 VAL 43 85.458 9.734 -2.179 387 2HG1 VAL 43 HG12 VAL 43 85.507 11.368 -1.517 388 3HG1 VAL 43 HG13 VAL 43 86.765 10.829 -2.628 389 1HG2 VAL 43 HG21 VAL 43 84.925 11.085 -5.707 390 2HG2 VAL 43 HG22 VAL 43 85.126 9.560 -4.847 391 3HG2 VAL 43 HG23 VAL 43 86.457 10.711 -4.920 392 H ILE 44 HN ILE 44 82.631 9.711 -1.237 393 HA ILE 44 HA ILE 44 81.792 12.204 0.147 394 HB ILE 44 HB ILE 44 81.310 9.343 0.987 395 1HG1 ILE 44 HG12 ILE 44 80.315 9.621 -1.206 396 2HG1 ILE 44 HG11 ILE 44 79.022 9.713 -0.012 397 1HG2 ILE 44 HG21 ILE 44 80.079 12.007 1.734 398 2HG2 ILE 44 HG22 ILE 44 81.003 10.931 2.782 399 3HG2 ILE 44 HG23 ILE 44 79.405 10.449 2.211 400 1HD1 ILE 44 HD11 ILE 44 80.270 11.933 -1.621 401 2HD1 ILE 44 HD12 ILE 44 79.450 12.291 -0.102 402 3HD1 ILE 44 HD13 ILE 44 78.565 11.536 -1.425 403 H GLN 45 HN GLN 45 84.100 9.551 0.383 404 HA GLN 45 HA GLN 45 85.727 11.072 2.221 405 1HB GLN 45 HB2 GLN 45 83.978 10.347 3.814 406 2HB GLN 45 HB1 GLN 45 84.298 8.669 3.387 407 1HG GLN 45 HG2 GLN 45 86.436 8.681 4.361 408 2HG GLN 45 HG1 GLN 45 86.533 10.444 4.354 409 1HE2 GLN 45 HE21 GLN 45 86.690 10.899 6.577 410 2HE2 GLN 45 HE22 GLN 45 85.543 10.410 7.727 411 H GLU 46 HN GLU 46 87.613 9.765 2.960 412 HA GLU 46 HA GLU 46 88.209 7.426 1.241 413 1HB GLU 46 HB2 GLU 46 89.776 9.974 1.546 414 2HB GLU 46 HB1 GLU 46 90.615 8.470 1.165 415 1HG GLU 46 HG2 GLU 46 89.433 8.198 -0.874 416 2HG GLU 46 HG1 GLU 46 88.226 9.408 -0.431 417 H TRP 47 HN TRP 47 90.055 6.135 2.056 418 HA TRP 47 HA TRP 47 90.592 6.476 4.970 419 1HB TRP 47 HB2 TRP 47 89.673 3.919 3.635 420 2HB TRP 47 HB1 TRP 47 90.198 4.057 5.307 421 HD1 TRP 47 HD1 TRP 47 87.363 5.062 2.957 422 HE1 TRP 47 HE1 TRP 47 85.324 5.766 4.366 423 HE3 TRP 47 HE3 TRP 47 89.435 4.986 7.628 424 HZ2 TRP 47 HZ2 TRP 47 84.654 6.231 7.089 425 HZ3 TRP 47 HZ3 TRP 47 88.068 5.566 9.613 426 HH2 TRP 47 HH2 TRP 47 85.681 6.190 9.351 427 H SER 48 HN SER 48 92.655 5.724 5.572 428 HA SER 48 HA SER 48 94.547 5.394 3.385 429 1HB SER 48 HB2 SER 48 94.805 5.389 6.379 430 2HB SER 48 HB1 SER 48 96.174 5.016 5.339 431 HG SER 48 HG SER 48 94.863 7.200 4.459 432 H LEU 49 HN LEU 49 95.361 3.502 2.590 433 HA LEU 49 HA LEU 49 94.119 1.009 3.281 434 1HB LEU 49 HB2 LEU 49 96.177 1.980 1.396 435 2HB LEU 49 HB1 LEU 49 96.490 0.338 1.946 436 HG LEU 49 HG LEU 49 93.744 1.143 0.980 437 1HD1 LEU 49 HD11 LEU 49 95.175 1.740 -0.865 438 2HD1 LEU 49 HD12 LEU 49 94.453 0.177 -1.249 439 3HD1 LEU 49 HD13 LEU 49 96.120 0.262 -0.680 440 1HD2 LEU 49 HD21 LEU 49 93.420 -1.190 0.707 441 2HD2 LEU 49 HD22 LEU 49 94.303 -1.056 2.227 442 3HD2 LEU 49 HD23 LEU 49 95.150 -1.525 0.754 443 H THR 50 HN THR 50 96.937 2.699 4.430 444 HA THR 50 HA THR 50 98.153 0.406 5.715 445 HB THR 50 HB THR 50 98.622 3.269 6.515 446 HG1 THR 50 HG1 THR 50 99.223 3.667 4.566 447 1HG2 THR 50 HG21 THR 50 100.751 2.530 7.148 448 2HG2 THR 50 HG22 THR 50 100.686 1.129 6.082 449 3HG2 THR 50 HG23 THR 50 99.742 1.148 7.572 450 H ASN 51 HN ASN 51 95.409 2.222 6.394 451 HA ASN 51 HA ASN 51 95.643 1.982 9.338 452 1HB ASN 51 HB2 ASN 51 93.593 3.195 7.477 453 2HB ASN 51 HB1 ASN 51 93.257 2.972 9.193 454 1HD2 ASN 51 HD21 ASN 51 93.226 5.370 9.422 455 2HD2 ASN 51 HD22 ASN 51 94.686 6.233 9.476 456 H ILE 52 HN ILE 52 94.270 0.266 6.647 457 HA ILE 52 HA ILE 52 92.213 -1.138 8.092 458 HB ILE 52 HB ILE 52 93.751 -2.113 5.665 459 1HG1 ILE 52 HG12 ILE 52 91.333 -0.287 5.883 460 2HG1 ILE 52 HG11 ILE 52 92.913 0.138 5.227 461 1HG2 ILE 52 HG21 ILE 52 90.891 -2.645 6.520 462 2HG2 ILE 52 HG22 ILE 52 92.231 -3.727 6.899 463 3HG2 ILE 52 HG23 ILE 52 91.782 -3.437 5.221 464 1HD1 ILE 52 HD11 ILE 52 92.525 -1.811 3.562 465 2HD1 ILE 52 HD12 ILE 52 91.614 -0.322 3.307 466 3HD1 ILE 52 HD13 ILE 52 90.836 -1.713 4.061 467 H LYS 53 HN LYS 53 92.521 -2.596 9.688 468 HA LYS 53 HA LYS 53 95.192 -3.839 10.043 469 1HB LYS 53 HB2 LYS 53 94.221 -2.879 12.034 470 2HB LYS 53 HB1 LYS 53 92.708 -3.740 11.773 471 1HG LYS 53 HG2 LYS 53 93.723 -5.858 12.240 472 2HG LYS 53 HG1 LYS 53 95.344 -5.164 12.182 473 1HD LYS 53 HD2 LYS 53 94.878 -3.829 14.179 474 2HD LYS 53 HD1 LYS 53 93.220 -4.430 14.218 475 1HE LYS 53 HE2 LYS 53 93.967 -6.683 14.650 476 2HE LYS 53 HE1 LYS 53 95.650 -6.231 14.378 477 1HZ LYS 53 HZ1 LYS 53 95.195 -4.553 16.266 478 2HZ LYS 53 HZ2 LYS 53 95.487 -6.181 16.657 479 3HZ LYS 53 HZ3 LYS 53 93.899 -5.576 16.650 480 H ARG 54 HN ARG 54 91.777 -4.828 9.657 481 HA ARG 54 HA ARG 54 92.682 -7.331 8.380 482 1HB ARG 54 HB2 ARG 54 91.931 -8.824 9.982 483 2HB ARG 54 HB1 ARG 54 92.284 -7.484 11.064 484 1HG ARG 54 HG2 ARG 54 89.855 -6.735 10.708 485 2HG ARG 54 HG1 ARG 54 89.589 -8.292 9.938 486 1HD ARG 54 HD2 ARG 54 89.042 -8.945 12.065 487 2HD ARG 54 HD1 ARG 54 90.788 -9.102 12.256 488 HE ARG 54 HE ARG 54 90.208 -6.421 12.862 489 1HH1 ARG 54 HH21 ARG 54 89.228 -9.558 13.908 490 2HH1 ARG 54 HH22 ARG 54 88.887 -9.057 15.530 491 1HH2 ARG 54 HH11 ARG 54 89.767 -5.748 14.974 492 2HH2 ARG 54 HH12 ARG 54 89.190 -6.899 16.134 493 H TRP 55 HN TRP 55 90.601 -8.623 7.753 494 HA TRP 55 HA TRP 55 88.184 -7.044 7.439 495 1HB TRP 55 HB2 TRP 55 88.140 -7.075 4.974 496 2HB TRP 55 HB1 TRP 55 89.497 -6.122 5.570 497 HD1 TRP 55 HD1 TRP 55 88.759 -9.684 4.267 498 HE1 TRP 55 HE1 TRP 55 90.892 -10.579 3.121 499 HE3 TRP 55 HE3 TRP 55 91.966 -5.831 5.238 500 HZ2 TRP 55 HZ2 TRP 55 93.593 -9.759 2.665 501 HZ3 TRP 55 HZ3 TRP 55 94.308 -5.915 4.436 502 HH2 TRP 55 HH2 TRP 55 95.122 -7.876 3.152 503 H ALA 56 HN ALA 56 86.560 -8.331 6.090 504 HA ALA 56 HA ALA 56 87.121 -11.237 6.025 505 1HB ALA 56 HB1 ALA 56 85.090 -9.929 7.846 506 2HB ALA 56 HB2 ALA 56 86.319 -11.122 8.261 507 3HB ALA 56 HB3 ALA 56 84.911 -11.599 7.311 508 H ALA 57 HN ALA 57 86.442 -11.740 3.995 509 HA ALA 57 HA ALA 57 84.216 -10.173 2.784 510 1HB ALA 57 HB1 ALA 57 84.965 -11.430 0.692 511 2HB ALA 57 HB2 ALA 57 86.331 -12.006 1.648 512 3HB ALA 57 HB3 ALA 57 86.119 -10.279 1.363 513 H SER 58 HN SER 58 82.265 -11.056 3.299 514 HA SER 58 HA SER 58 81.966 -13.966 3.533 515 1HB SER 58 HB2 SER 58 80.495 -11.604 4.401 516 2HB SER 58 HB1 SER 58 79.408 -12.772 3.657 517 HG SER 58 HG SER 58 81.365 -13.665 5.458 518 HA PRO 59 HA PRO 59 80.551 -14.707 -0.562 519 1HB PRO 59 HB2 PRO 59 78.103 -16.073 -0.027 520 2HB PRO 59 HB1 PRO 59 79.697 -16.813 -0.229 521 1HG PRO 59 HG2 PRO 59 78.170 -16.341 2.264 522 2HG PRO 59 HG1 PRO 59 79.517 -17.455 1.975 523 1HD PRO 59 HD2 PRO 59 79.681 -15.050 3.419 524 2HD PRO 59 HD1 PRO 59 81.064 -15.936 2.747 525 H LYS 60 HN LYS 60 79.026 -12.591 1.487 526 HA LYS 60 HA LYS 60 77.387 -11.481 -0.717 527 1HB LYS 60 HB2 LYS 60 75.392 -11.352 0.719 528 2HB LYS 60 HB1 LYS 60 75.887 -13.020 0.463 529 1HG LYS 60 HG2 LYS 60 77.255 -12.701 2.672 530 2HG LYS 60 HG1 LYS 60 76.177 -11.334 2.930 531 1HD LYS 60 HD2 LYS 60 74.256 -12.987 2.468 532 2HD LYS 60 HD1 LYS 60 75.470 -14.252 2.672 533 1HE LYS 60 HE2 LYS 60 76.048 -13.131 4.901 534 2HE LYS 60 HE1 LYS 60 74.558 -12.209 4.704 535 1HZ LYS 60 HZ1 LYS 60 74.036 -14.120 5.968 536 2HZ LYS 60 HZ2 LYS 60 74.852 -15.153 4.893 537 3HZ LYS 60 HZ3 LYS 60 73.410 -14.391 4.415 538 H SER 61 HN SER 61 79.168 -11.088 2.204 539 HA SER 61 HA SER 61 78.703 -8.124 2.067 540 1HB SER 61 HB2 SER 61 78.907 -9.762 4.602 541 2HB SER 61 HB1 SER 61 78.708 -8.016 4.504 542 HG SER 61 HG SER 61 76.901 -9.640 3.126 543 H PHE 62 HN PHE 62 80.376 -6.901 3.278 544 HA PHE 62 HA PHE 62 83.055 -8.224 3.342 545 1HB PHE 62 HB2 PHE 62 82.895 -7.066 1.180 546 2HB PHE 62 HB1 PHE 62 82.386 -5.588 1.995 547 HD1 PHE 62 HD1 PHE 62 85.153 -8.124 2.132 548 HD2 PHE 62 HD2 PHE 62 84.026 -3.996 2.512 549 HE1 PHE 62 HE1 PHE 62 87.527 -7.507 2.490 550 HE2 PHE 62 HE2 PHE 62 86.401 -3.382 2.870 551 HZ PHE 62 HZ PHE 62 88.151 -5.137 2.858 552 H THR 63 HN THR 63 84.351 -7.453 5.046 553 HA THR 63 HA THR 63 83.311 -5.120 6.624 554 HB THR 63 HB THR 63 83.991 -7.892 7.627 555 HG1 THR 63 HG1 THR 63 81.922 -7.678 8.524 556 1HG2 THR 63 HG21 THR 63 83.486 -6.760 9.919 557 2HG2 THR 63 HG22 THR 63 83.926 -5.263 9.096 558 3HG2 THR 63 HG23 THR 63 85.098 -6.577 9.227 559 H LEU 64 HN LEU 64 84.916 -3.915 7.669 560 HA LEU 64 HA LEU 64 87.723 -4.849 7.511 561 1HB LEU 64 HB2 LEU 64 88.519 -2.785 6.495 562 2HB LEU 64 HB1 LEU 64 87.382 -3.595 5.427 563 HG LEU 64 HG LEU 64 85.672 -1.988 6.867 564 1HD1 LEU 64 HD11 LEU 64 86.712 0.276 6.920 565 2HD1 LEU 64 HD12 LEU 64 88.269 -0.455 6.537 566 3HD1 LEU 64 HD13 LEU 64 87.467 -0.835 8.060 567 1HD2 LEU 64 HD21 LEU 64 85.964 -0.367 4.837 568 2HD2 LEU 64 HD22 LEU 64 85.453 -2.024 4.523 569 3HD2 LEU 64 HD23 LEU 64 87.133 -1.557 4.264 570 H ASP 65 HN ASP 65 89.115 -3.730 8.963 571 HA ASP 65 HA ASP 65 87.711 -2.025 10.999 572 1HB ASP 65 HB2 ASP 65 88.764 -3.228 12.788 573 2HB ASP 65 HB1 ASP 65 88.049 -4.443 11.731 574 H PHE 66 HN PHE 66 88.787 -0.175 11.438 575 HA PHE 66 HA PHE 66 91.466 0.229 10.230 576 1HB PHE 66 HB2 PHE 66 89.550 2.124 11.628 577 2HB PHE 66 HB1 PHE 66 91.090 2.605 10.920 578 HD1 PHE 66 HD1 PHE 66 91.439 1.691 8.404 579 HD2 PHE 66 HD2 PHE 66 87.644 2.396 10.293 580 HE1 PHE 66 HE1 PHE 66 90.367 1.889 6.178 581 HE2 PHE 66 HE2 PHE 66 86.574 2.595 8.066 582 HZ PHE 66 HZ PHE 66 87.935 2.343 6.008 583 H GLY 67 HN GLY 67 90.326 -1.040 13.001 584 1HA GLY 67 HA2 GLY 67 91.462 -1.562 15.006 585 2HA GLY 67 HA1 GLY 67 92.827 -0.597 14.437 586 H ASP 68 HN ASP 68 90.364 1.420 13.948 587 HA ASP 68 HA ASP 68 90.873 2.876 16.459 588 1HB ASP 68 HB2 ASP 68 89.016 3.759 14.265 589 2HB ASP 68 HB1 ASP 68 89.946 4.750 15.381 590 H TYR 69 HN TYR 69 89.726 1.667 18.030 591 HA TYR 69 HA TYR 69 87.191 0.556 17.909 592 1HB TYR 69 HB2 TYR 69 88.569 0.381 19.908 593 2HB TYR 69 HB1 TYR 69 88.430 2.116 20.192 594 HD1 TYR 69 HD1 TYR 69 86.559 3.023 21.343 595 HD2 TYR 69 HD2 TYR 69 86.468 -1.037 19.950 596 HE1 TYR 69 HE1 TYR 69 84.454 2.639 22.601 597 HE2 TYR 69 HE2 TYR 69 84.365 -1.423 21.206 598 HH TYR 69 HH TYR 69 83.248 0.635 23.594 599 H GLN 70 HN GLN 70 87.976 3.949 18.620 600 HA GLN 70 HA GLN 70 85.398 4.943 19.075 601 1HB GLN 70 HB2 GLN 70 86.262 7.112 18.215 602 2HB GLN 70 HB1 GLN 70 87.382 6.341 19.328 603 1HG GLN 70 HG2 GLN 70 88.445 5.323 17.180 604 2HG GLN 70 HG1 GLN 70 87.574 6.600 16.342 605 1HE2 GLN 70 HE21 GLN 70 89.263 6.636 19.526 606 2HE2 GLN 70 HE22 GLN 70 90.294 7.925 19.127 607 H ASP 71 HN ASP 71 87.071 4.736 15.921 608 HA ASP 71 HA ASP 71 84.866 5.644 14.375 609 1HB ASP 71 HB2 ASP 71 87.341 5.297 13.702 610 2HB ASP 71 HB1 ASP 71 86.869 3.634 13.379 611 H GLY 72 HN GLY 72 85.770 2.456 15.555 612 1HA GLY 72 HA2 GLY 72 84.329 0.602 15.898 613 2HA GLY 72 HA1 GLY 72 83.037 1.500 15.104 614 H TYR 73 HN TYR 73 83.126 -1.022 14.303 615 HA TYR 73 HA TYR 73 84.986 -1.472 12.108 616 1HB TYR 73 HB2 TYR 73 82.446 -2.931 12.883 617 2HB TYR 73 HB1 TYR 73 83.604 -3.490 11.684 618 HD1 TYR 73 HD1 TYR 73 86.130 -3.465 12.535 619 HD2 TYR 73 HD2 TYR 73 82.682 -3.761 15.064 620 HE1 TYR 73 HE1 TYR 73 87.527 -4.499 14.308 621 HE2 TYR 73 HE2 TYR 73 84.071 -4.790 16.844 622 HH TYR 73 HH TYR 73 86.078 -5.566 17.387 623 H TYR 74 HN TYR 74 84.265 -1.781 9.868 624 HA TYR 74 HA TYR 74 81.847 -0.209 9.103 625 1HB TYR 74 HB2 TYR 74 83.935 1.152 8.798 626 2HB TYR 74 HB1 TYR 74 84.535 -0.102 7.717 627 HD1 TYR 74 HD1 TYR 74 81.890 2.461 8.177 628 HD2 TYR 74 HD2 TYR 74 83.717 -0.334 5.473 629 HE1 TYR 74 HE1 TYR 74 80.647 3.473 6.286 630 HE2 TYR 74 HE2 TYR 74 82.474 0.679 3.583 631 HH TYR 74 HH TYR 74 81.404 3.240 3.253 632 H SER 75 HN SER 75 80.589 -1.804 8.265 633 HA SER 75 HA SER 75 81.758 -3.555 6.151 634 1HB SER 75 HB2 SER 75 81.521 -4.815 8.302 635 2HB SER 75 HB1 SER 75 79.797 -4.464 8.275 636 HG SER 75 HG SER 75 81.333 -6.125 6.621 637 H VAL 76 HN VAL 76 80.315 -4.187 4.525 638 HA VAL 76 HA VAL 76 77.568 -3.051 4.564 639 HB VAL 76 HB VAL 76 77.919 -2.055 2.297 640 1HG1 VAL 76 HG11 VAL 76 79.830 -0.991 4.401 641 2HG1 VAL 76 HG12 VAL 76 78.096 -0.674 4.365 642 3HG1 VAL 76 HG13 VAL 76 79.130 -0.075 3.068 643 1HG2 VAL 76 HG21 VAL 76 80.829 -2.691 2.890 644 2HG2 VAL 76 HG22 VAL 76 80.260 -1.709 1.540 645 3HG2 VAL 76 HG23 VAL 76 79.848 -3.421 1.620 646 H GLN 77 HN GLN 77 76.411 -3.830 2.470 647 HA GLN 77 HA GLN 77 76.861 -6.697 2.268 648 1HB GLN 77 HB2 GLN 77 74.887 -4.757 1.067 649 2HB GLN 77 HB1 GLN 77 74.938 -6.437 0.544 650 1HG GLN 77 HG2 GLN 77 74.663 -7.136 2.931 651 2HG GLN 77 HG1 GLN 77 74.479 -5.438 3.369 652 1HE2 GLN 77 HE21 GLN 77 72.685 -8.163 2.632 653 2HE2 GLN 77 HE22 GLN 77 71.264 -7.412 2.087 654 H THR 78 HN THR 78 77.797 -7.785 0.552 655 HA THR 78 HA THR 78 78.431 -6.336 -1.944 656 HB THR 78 HB THR 78 80.802 -6.839 -1.844 657 HG1 THR 78 HG1 THR 78 80.111 -8.019 0.636 658 1HG2 THR 78 HG21 THR 78 79.915 -4.751 -0.718 659 2HG2 THR 78 HG22 THR 78 81.480 -5.298 -0.130 660 3HG2 THR 78 HG23 THR 78 80.026 -5.615 0.813 661 H THR 79 HN THR 79 77.818 -7.716 -3.484 662 HA THR 79 HA THR 79 77.330 -10.508 -3.026 663 HB THR 79 HB THR 79 77.745 -9.058 -5.654 664 HG1 THR 79 HG1 THR 79 76.096 -8.119 -4.443 665 1HG2 THR 79 HG21 THR 79 76.470 -11.696 -4.911 666 2HG2 THR 79 HG22 THR 79 77.822 -11.424 -6.010 667 3HG2 THR 79 HG23 THR 79 76.199 -10.902 -6.462 668 H GLU 80 HN GLU 80 80.127 -8.683 -3.933 669 HA GLU 80 HA GLU 80 81.677 -11.219 -4.262 670 1HB GLU 80 HB2 GLU 80 82.007 -8.637 -5.807 671 2HB GLU 80 HB1 GLU 80 83.074 -10.035 -5.921 672 1HG GLU 80 HG2 GLU 80 80.104 -10.211 -6.432 673 2HG GLU 80 HG1 GLU 80 81.267 -9.888 -7.709 674 H GLY 81 HN GLY 81 81.378 -9.854 -1.821 675 1HA GLY 81 HA2 GLY 81 83.289 -7.910 -1.174 676 2HA GLY 81 HA1 GLY 81 82.785 -9.176 -0.056 677 H GLU 82 HN GLU 82 83.802 -11.083 -2.324 678 HA GLU 82 HA GLU 82 86.404 -11.556 -1.132 679 1HB GLU 82 HB2 GLU 82 85.245 -13.483 -1.917 680 2HB GLU 82 HB1 GLU 82 84.907 -12.737 -3.473 681 1HG GLU 82 HG2 GLU 82 87.129 -12.959 -4.201 682 2HG GLU 82 HG1 GLU 82 87.730 -13.237 -2.574 683 H GLN 83 HN GLN 83 85.437 -10.704 -4.455 684 HA GLN 83 HA GLN 83 87.996 -10.146 -5.467 685 1HB GLN 83 HB2 GLN 83 85.524 -8.545 -6.127 686 2HB GLN 83 HB1 GLN 83 86.921 -8.800 -7.156 687 1HG GLN 83 HG2 GLN 83 86.394 -11.124 -7.418 688 2HG GLN 83 HG1 GLN 83 85.156 -11.038 -6.178 689 1HE2 GLN 83 HE21 GLN 83 83.385 -11.596 -7.551 690 2HE2 GLN 83 HE22 GLN 83 82.845 -10.585 -8.799 691 H ILE 84 HN ILE 84 85.757 -8.061 -3.738 692 HA ILE 84 HA ILE 84 87.306 -5.678 -3.784 693 HB ILE 84 HB ILE 84 85.594 -6.661 -1.482 694 1HG1 ILE 84 HG12 ILE 84 84.821 -5.289 -4.077 695 2HG1 ILE 84 HG11 ILE 84 84.306 -6.884 -3.530 696 1HG2 ILE 84 HG21 ILE 84 86.103 -3.849 -2.488 697 2HG2 ILE 84 HG22 ILE 84 87.031 -4.596 -1.189 698 3HG2 ILE 84 HG23 ILE 84 85.303 -4.320 -0.989 699 1HD1 ILE 84 HD11 ILE 84 83.491 -4.180 -2.492 700 2HD1 ILE 84 HD12 ILE 84 83.373 -5.598 -1.452 701 3HD1 ILE 84 HD13 ILE 84 82.471 -5.537 -2.966 702 H ALA 85 HN ALA 85 87.509 -8.604 -1.854 703 HA ALA 85 HA ALA 85 89.589 -7.497 -0.085 704 1HB ALA 85 HB1 ALA 85 88.125 -9.124 0.913 705 2HB ALA 85 HB2 ALA 85 89.697 -9.899 0.728 706 3HB ALA 85 HB3 ALA 85 88.395 -10.263 -0.403 707 H GLN 86 HN GLN 86 89.352 -9.228 -3.089 708 HA GLN 86 HA GLN 86 92.127 -10.179 -3.020 709 1HB GLN 86 HB2 GLN 86 90.193 -11.297 -4.260 710 2HB GLN 86 HB1 GLN 86 90.328 -9.993 -5.427 711 1HG GLN 86 HG2 GLN 86 92.815 -10.602 -5.565 712 2HG GLN 86 HG1 GLN 86 92.372 -12.085 -4.735 713 1HE2 GLN 86 HE21 GLN 86 93.238 -12.899 -6.995 714 2HE2 GLN 86 HE22 GLN 86 92.061 -13.089 -8.198 715 H LEU 87 HN LEU 87 90.272 -7.582 -4.505 716 HA LEU 87 HA LEU 87 92.468 -6.517 -6.036 717 1HB LEU 87 HB2 LEU 87 90.153 -5.970 -6.627 718 2HB LEU 87 HB1 LEU 87 89.899 -5.241 -5.044 719 HG LEU 87 HG LEU 87 91.520 -3.494 -5.527 720 1HD1 LEU 87 HD11 LEU 87 92.055 -5.197 -7.959 721 2HD1 LEU 87 HD12 LEU 87 93.204 -4.452 -6.849 722 3HD1 LEU 87 HD13 LEU 87 92.353 -3.460 -8.030 723 1HD2 LEU 87 HD21 LEU 87 89.452 -4.006 -7.677 724 2HD2 LEU 87 HD22 LEU 87 90.377 -2.507 -7.600 725 3HD2 LEU 87 HD23 LEU 87 89.314 -2.957 -6.266 726 H ILE 88 HN ILE 88 91.079 -5.921 -2.872 727 HA ILE 88 HA ILE 88 92.847 -3.733 -2.191 728 HB ILE 88 HB ILE 88 91.032 -5.569 -0.613 729 1HG1 ILE 88 HG12 ILE 88 90.966 -2.572 -1.063 730 2HG1 ILE 88 HG11 ILE 88 90.104 -3.731 -2.071 731 1HG2 ILE 88 HG21 ILE 88 91.509 -3.909 1.307 732 2HG2 ILE 88 HG22 ILE 88 92.940 -3.443 0.391 733 3HG2 ILE 88 HG23 ILE 88 92.763 -5.099 0.964 734 1HD1 ILE 88 HD11 ILE 88 89.012 -4.586 0.065 735 2HD1 ILE 88 HD12 ILE 88 88.530 -2.968 -0.442 736 3HD1 ILE 88 HD13 ILE 88 89.689 -3.171 0.870 737 H ALA 89 HN ALA 89 92.732 -7.190 -1.340 738 HA ALA 89 HA ALA 89 95.112 -7.278 0.206 739 1HB ALA 89 HB1 ALA 89 95.170 -9.702 -0.436 740 2HB ALA 89 HB2 ALA 89 93.865 -9.389 -1.581 741 3HB ALA 89 HB3 ALA 89 93.592 -9.176 0.149 742 H GLY 90 HN GLY 90 94.631 -6.800 -3.158 743 1HA GLY 90 HA2 GLY 90 97.364 -7.672 -3.889 744 2HA GLY 90 HA1 GLY 90 96.135 -7.071 -4.999 745 H TYR 91 HN TYR 91 95.632 -4.715 -3.134 746 HA TYR 91 HA TYR 91 97.713 -3.004 -4.309 747 1HB TYR 91 HB2 TYR 91 95.163 -2.561 -2.779 748 2HB TYR 91 HB1 TYR 91 96.336 -1.254 -2.827 749 HD1 TYR 91 HD1 TYR 91 93.460 -2.338 -4.346 750 HD2 TYR 91 HD2 TYR 91 97.422 -1.043 -5.410 751 HE1 TYR 91 HE1 TYR 91 92.645 -1.663 -6.581 752 HE2 TYR 91 HE2 TYR 91 96.602 -0.387 -7.651 753 HH TYR 91 HH TYR 91 94.324 0.316 -8.636 754 H ILE 92 HN ILE 92 96.944 -4.414 -1.215 755 HA ILE 92 HA ILE 92 98.561 -2.700 0.409 756 HB ILE 92 HB ILE 92 97.741 -5.586 0.800 757 1HG1 ILE 92 HG12 ILE 92 96.572 -3.021 1.926 758 2HG1 ILE 92 HG11 ILE 92 95.913 -3.871 0.527 759 1HG2 ILE 92 HG21 ILE 92 98.138 -4.955 3.249 760 2HG2 ILE 92 HG22 ILE 92 99.002 -3.543 2.642 761 3HG2 ILE 92 HG23 ILE 92 99.583 -5.164 2.263 762 1HD1 ILE 92 HD11 ILE 92 96.117 -4.874 3.375 763 2HD1 ILE 92 HD12 ILE 92 95.764 -5.936 2.012 764 3HD1 ILE 92 HD13 ILE 92 94.655 -4.627 2.420 765 H ASP 93 HN ASP 93 99.321 -5.355 -1.697 766 HA ASP 93 HA ASP 93 101.985 -5.795 -0.541 767 1HB ASP 93 HB2 ASP 93 100.528 -6.881 -2.956 768 2HB ASP 93 HB1 ASP 93 102.213 -7.272 -2.621 769 H ILE 94 HN ILE 94 100.551 -3.764 -2.936 770 HA ILE 94 HA ILE 94 103.072 -3.302 -4.383 771 HB ILE 94 HB ILE 94 100.407 -1.884 -4.599 772 1HG1 ILE 94 HG12 ILE 94 101.585 -4.087 -6.323 773 2HG1 ILE 94 HG11 ILE 94 100.377 -4.362 -5.068 774 1HG2 ILE 94 HG21 ILE 94 102.154 -0.518 -5.529 775 2HG2 ILE 94 HG22 ILE 94 101.366 -1.317 -6.889 776 3HG2 ILE 94 HG23 ILE 94 102.916 -1.912 -6.295 777 1HD1 ILE 94 HD11 ILE 94 98.958 -2.594 -6.285 778 2HD1 ILE 94 HD12 ILE 94 99.128 -4.160 -7.076 779 3HD1 ILE 94 HD13 ILE 94 100.085 -2.786 -7.627 780 H ILE 95 HN ILE 95 101.289 -1.870 -1.764 781 HA ILE 95 HA ILE 95 102.741 0.688 -1.925 782 HB ILE 95 HB ILE 95 101.580 1.159 0.232 783 1HG1 ILE 95 HG12 ILE 95 100.519 -1.650 -0.204 784 2HG1 ILE 95 HG11 ILE 95 101.487 -1.083 1.157 785 1HG2 ILE 95 HG21 ILE 95 100.557 1.502 -2.095 786 2HG2 ILE 95 HG22 ILE 95 99.428 1.437 -0.741 787 3HG2 ILE 95 HG23 ILE 95 99.635 0.031 -1.785 788 1HD1 ILE 95 HD11 ILE 95 99.605 0.607 1.594 789 2HD1 ILE 95 HD12 ILE 95 99.245 -1.080 1.954 790 3HD1 ILE 95 HD13 ILE 95 98.638 -0.347 0.470 791 H LEU 96 HN LEU 96 102.923 -2.342 -0.216 792 HA LEU 96 HA LEU 96 104.872 -1.401 1.737 793 1HB LEU 96 HB2 LEU 96 103.513 -3.961 1.036 794 2HB LEU 96 HB1 LEU 96 105.045 -4.106 1.899 795 HG LEU 96 HG LEU 96 102.945 -2.181 2.904 796 1HD1 LEU 96 HD11 LEU 96 102.247 -4.149 4.436 797 2HD1 LEU 96 HD12 LEU 96 102.964 -5.182 3.198 798 3HD1 LEU 96 HD13 LEU 96 101.614 -4.125 2.789 799 1HD2 LEU 96 HD21 LEU 96 104.844 -3.927 4.485 800 2HD2 LEU 96 HD22 LEU 96 104.086 -2.410 4.969 801 3HD2 LEU 96 HD23 LEU 96 105.383 -2.406 3.776 802 H LYS 97 HN LYS 97 105.034 -2.901 -1.439 803 HA LYS 97 HA LYS 97 107.811 -3.693 -1.181 804 1HB LYS 97 HB2 LYS 97 107.713 -4.310 -3.452 805 2HB LYS 97 HB1 LYS 97 106.078 -4.585 -2.863 806 1HG LYS 97 HG2 LYS 97 105.505 -2.252 -3.695 807 2HG LYS 97 HG1 LYS 97 107.074 -2.225 -4.489 808 1HD LYS 97 HD2 LYS 97 105.252 -4.567 -5.004 809 2HD LYS 97 HD1 LYS 97 104.913 -3.033 -5.796 810 1HE LYS 97 HE2 LYS 97 106.334 -4.440 -7.224 811 2HE LYS 97 HE1 LYS 97 107.201 -2.991 -6.720 812 1HZ LYS 97 HZ1 LYS 97 108.400 -4.205 -5.117 813 2HZ LYS 97 HZ2 LYS 97 108.460 -5.133 -6.539 814 3HZ LYS 97 HZ3 LYS 97 107.407 -5.571 -5.279 815 H LYS 98 HN LYS 98 106.189 -0.906 -2.714 816 HA LYS 98 HA LYS 98 108.471 0.394 -3.719 817 1HB LYS 98 HB2 LYS 98 105.981 1.611 -2.485 818 2HB LYS 98 HB1 LYS 98 107.138 2.478 -3.495 819 1HG LYS 98 HG2 LYS 98 106.606 1.186 -5.412 820 2HG LYS 98 HG1 LYS 98 105.786 -0.047 -4.456 821 1HD LYS 98 HD2 LYS 98 104.145 1.384 -5.601 822 2HD LYS 98 HD1 LYS 98 104.035 1.585 -3.852 823 1HE LYS 98 HE2 LYS 98 105.077 3.695 -3.902 824 2HE LYS 98 HE1 LYS 98 105.786 3.414 -5.493 825 1HZ LYS 98 HZ1 LYS 98 103.652 4.885 -5.189 826 2HZ LYS 98 HZ2 LYS 98 102.869 3.378 -5.258 827 3HZ LYS 98 HZ3 LYS 98 103.848 3.891 -6.549 828 H LYS 99 HN LYS 99 107.261 0.179 -0.427 829 HA LYS 99 HA LYS 99 108.815 2.269 0.719 830 1HB LYS 99 HB2 LYS 99 107.518 -0.219 1.756 831 2HB LYS 99 HB1 LYS 99 108.637 0.634 2.813 832 1HG LYS 99 HG2 LYS 99 106.473 2.187 1.400 833 2HG LYS 99 HG1 LYS 99 106.068 1.254 2.837 834 1HD LYS 99 HD2 LYS 99 107.780 2.444 4.130 835 2HD LYS 99 HD1 LYS 99 108.253 3.354 2.696 836 1HE LYS 99 HE2 LYS 99 105.959 4.293 2.557 837 2HE LYS 99 HE1 LYS 99 105.532 3.426 4.032 838 1HZ LYS 99 HZ1 LYS 99 107.656 5.487 3.771 839 2HZ LYS 99 HZ2 LYS 99 107.291 4.627 5.190 840 3HZ LYS 99 HZ3 LYS 99 106.151 5.696 4.525 841 H LYS 100 HN LYS 100 109.606 -1.050 -0.146 842 HA LYS 100 HA LYS 100 112.476 -0.429 0.245 843 1HB LYS 100 HB2 LYS 100 111.111 -2.801 1.559 844 2HB LYS 100 HB1 LYS 100 112.849 -2.506 1.538 845 1HG LYS 100 HG2 LYS 100 112.365 -0.267 2.644 846 2HG LYS 100 HG1 LYS 100 110.711 -0.834 2.878 847 1HD LYS 100 HD2 LYS 100 111.633 -2.845 4.065 848 2HD LYS 100 HD1 LYS 100 113.235 -2.116 3.958 849 1HE LYS 100 HE2 LYS 100 112.291 -0.087 5.138 850 2HE LYS 100 HE1 LYS 100 110.816 -1.016 5.409 851 1HZ LYS 100 HZ1 LYS 100 111.777 -2.202 7.013 852 2HZ LYS 100 HZ2 LYS 100 112.988 -1.010 7.026 853 3HZ LYS 100 HZ3 LYS 100 113.205 -2.437 6.128 854 1H SER 1 HT1 SER 1 88.680 -18.642 12.209 855 2H SER 1 HT2 SER 1 88.164 -17.110 11.687 856 3H SER 1 HT3 SER 1 89.300 -17.245 12.943 857 HA SER 1 HA SER 1 90.982 -18.000 11.501 858 1HB SER 1 HB2 SER 1 88.802 -18.128 9.397 859 2HB SER 1 HB1 SER 1 90.507 -18.473 9.124 860 HG SER 1 HG SER 1 90.084 -20.408 9.801 861 H TRP 2 HN TRP 2 88.408 -15.993 10.005 862 HA TRP 2 HA TRP 2 88.537 -13.829 9.092 863 1HB TRP 2 HB2 TRP 2 90.197 -13.782 11.594 864 2HB TRP 2 HB1 TRP 2 90.292 -12.379 10.538 865 HD1 TRP 2 HD1 TRP 2 87.872 -14.295 12.769 866 HE1 TRP 2 HE1 TRP 2 85.818 -12.801 13.229 867 HE3 TRP 2 HE3 TRP 2 88.855 -10.457 9.567 868 HZ2 TRP 2 HZ2 TRP 2 84.744 -10.291 12.351 869 HZ3 TRP 2 HZ3 TRP 2 87.315 -8.521 9.401 870 HH2 TRP 2 HH2 TRP 2 85.266 -8.435 10.785 871 H VAL 3 HN VAL 3 90.491 -12.078 8.577 872 HA VAL 3 HA VAL 3 92.853 -13.454 7.477 873 HB VAL 3 HB VAL 3 91.353 -13.674 5.610 874 1HG1 VAL 3 HG11 VAL 3 90.747 -10.744 6.042 875 2HG1 VAL 3 HG12 VAL 3 89.654 -12.086 6.396 876 3HG1 VAL 3 HG13 VAL 3 90.108 -11.732 4.729 877 1HG2 VAL 3 HG21 VAL 3 92.562 -12.507 3.944 878 2HG2 VAL 3 HG22 VAL 3 93.712 -12.629 5.280 879 3HG2 VAL 3 HG23 VAL 3 92.846 -11.118 4.994 880 1HN PTR 4 HN PTR 4 94.615 -12.075 7.448 881 HA PTR 4 HA PTR 4 94.112 -9.208 8.215 882 1HB PTR 4 HB1 PTR 4 96.402 -9.419 9.336 883 2HB PTR 4 HB2 PTR 4 96.241 -11.160 9.113 884 HD1 PTR 4 HD1 PTR 4 93.866 -12.148 9.883 885 HD2 PTR 4 HD2 PTR 4 95.612 -8.499 11.338 886 HE1 PTR 4 HE1 PTR 4 92.458 -12.284 11.914 887 HE2 PTR 4 HE2 PTR 4 94.199 -8.638 13.370 888 H SER 5 HN SER 5 96.681 -8.267 7.961 889 HA SER 5 HA SER 5 97.555 -8.914 5.189 890 1HB SER 5 HB2 SER 5 96.852 -6.904 4.357 891 2HB SER 5 HB1 SER 5 96.019 -6.630 5.880 892 HG SER 5 HG SER 5 98.781 -6.119 5.570 893 HA PRO 6 HA PRO 6 101.607 -8.510 6.849 894 1HB PRO 6 HB2 PRO 6 102.776 -6.756 4.904 895 2HB PRO 6 HB1 PRO 6 102.832 -8.523 4.914 896 1HG PRO 6 HG2 PRO 6 101.238 -6.765 3.187 897 2HG PRO 6 HG1 PRO 6 101.501 -8.510 3.046 898 1HD PRO 6 HD2 PRO 6 99.102 -7.223 3.902 899 2HD PRO 6 HD1 PRO 6 99.460 -8.960 3.979 900 H LEU 7 HN LEU 7 99.879 -5.580 5.977 901 HA LEU 7 HA LEU 7 101.441 -3.558 7.062 902 1HB LEU 7 HB2 LEU 7 98.447 -3.897 7.406 903 2HB LEU 7 HB1 LEU 7 99.330 -2.386 7.593 904 HG LEU 7 HG LEU 7 99.484 -3.974 5.026 905 1HD1 LEU 7 HD11 LEU 7 97.713 -2.343 4.190 906 2HD1 LEU 7 HD12 LEU 7 97.382 -1.972 5.882 907 3HD1 LEU 7 HD13 LEU 7 97.133 -3.608 5.273 908 1HD2 LEU 7 HD21 LEU 7 99.953 -1.076 5.803 909 2HD2 LEU 7 HD22 LEU 7 99.877 -1.626 4.132 910 3HD2 LEU 7 HD23 LEU 7 101.141 -2.231 5.196 911 H HIS 8 HN HIS 8 101.575 -2.621 9.203 912 HA HIS 8 HA HIS 8 101.950 -4.484 11.305 913 1HB HIS 8 HB2 HIS 8 101.364 -1.519 11.556 914 2HB HIS 8 HB1 HIS 8 102.154 -2.534 12.760 915 HD1 HIS 8 HD1 HIS 8 104.388 -3.860 11.673 916 HD2 HIS 8 HD2 HIS 8 103.207 -0.256 9.943 917 HE1 HIS 8 HE1 HIS 8 106.386 -3.001 10.375 Start of MODEL 20 1 1H LEU 1 HT1 LEU 1 86.455 15.110 -10.541 2 2H LEU 1 HT2 LEU 1 85.192 14.913 -11.660 3 3H LEU 1 HT3 LEU 1 86.768 15.242 -12.203 4 HA LEU 1 HA LEU 1 85.563 12.735 -11.477 5 1HB LEU 1 HB2 LEU 1 87.953 13.696 -13.060 6 2HB LEU 1 HB1 LEU 1 87.662 11.981 -12.789 7 HG LEU 1 HG LEU 1 86.727 12.865 -14.960 8 1HD1 LEU 1 HD11 LEU 1 84.363 12.011 -13.313 9 2HD1 LEU 1 HD12 LEU 1 85.730 10.906 -13.450 10 3HD1 LEU 1 HD13 LEU 1 84.893 11.455 -14.898 11 1HD2 LEU 1 HD21 LEU 1 84.890 14.374 -14.974 12 2HD2 LEU 1 HD22 LEU 1 86.053 15.083 -13.856 13 3HD2 LEU 1 HD23 LEU 1 84.646 14.219 -13.235 14 H LYS 2 HN LYS 2 86.005 13.418 -9.046 15 HA LYS 2 HA LYS 2 88.657 13.233 -8.023 16 1HB LYS 2 HB2 LYS 2 85.920 12.824 -6.825 17 2HB LYS 2 HB1 LYS 2 87.380 12.567 -5.871 18 1HG LYS 2 HG2 LYS 2 86.451 14.883 -5.663 19 2HG LYS 2 HG1 LYS 2 88.108 14.842 -6.255 20 1HD LYS 2 HD2 LYS 2 87.439 15.300 -8.486 21 2HD LYS 2 HD1 LYS 2 85.751 14.926 -8.137 22 1HE LYS 2 HE2 LYS 2 85.472 16.912 -6.848 23 2HE LYS 2 HE1 LYS 2 87.211 17.196 -6.778 24 1HZ LYS 2 HZ1 LYS 2 86.080 17.016 -9.441 25 2HZ LYS 2 HZ2 LYS 2 87.238 18.092 -8.819 26 3HZ LYS 2 HZ3 LYS 2 85.585 18.364 -8.537 27 H THR 3 HN THR 3 87.009 10.983 -9.713 28 HA THR 3 HA THR 3 88.214 8.658 -8.241 29 HB THR 3 HB THR 3 86.522 7.281 -9.449 30 HG1 THR 3 HG1 THR 3 86.264 9.548 -10.814 31 1HG2 THR 3 HG21 THR 3 85.247 9.585 -7.955 32 2HG2 THR 3 HG22 THR 3 86.091 8.251 -7.169 33 3HG2 THR 3 HG23 THR 3 84.628 7.940 -8.103 34 H TYR 4 HN TYR 4 89.757 10.289 -9.900 35 HA TYR 4 HA TYR 4 89.953 9.609 -12.609 36 1HB TYR 4 HB2 TYR 4 91.348 11.258 -11.080 37 2HB TYR 4 HB1 TYR 4 92.463 9.902 -10.973 38 HD1 TYR 4 HD1 TYR 4 91.433 12.693 -12.932 39 HD2 TYR 4 HD2 TYR 4 93.151 8.773 -13.224 40 HE1 TYR 4 HE1 TYR 4 92.335 13.260 -15.172 41 HE2 TYR 4 HE2 TYR 4 94.057 9.335 -15.465 42 HH TYR 4 HH TYR 4 93.744 12.604 -16.802 43 H GLY 5 HN GLY 5 89.835 7.525 -13.314 44 1HA GLY 5 HA2 GLY 5 90.310 5.234 -13.525 45 2HA GLY 5 HA1 GLY 5 91.970 5.736 -13.218 46 H VAL 6 HN VAL 6 88.954 5.193 -11.379 47 HA VAL 6 HA VAL 6 90.575 3.741 -9.311 48 HB VAL 6 HB VAL 6 88.203 5.550 -8.764 49 1HG1 VAL 6 HG11 VAL 6 90.163 4.091 -6.967 50 2HG1 VAL 6 HG12 VAL 6 88.445 3.734 -7.151 51 3HG1 VAL 6 HG13 VAL 6 88.957 5.248 -6.406 52 1HG2 VAL 6 HG21 VAL 6 90.181 6.837 -9.492 53 2HG2 VAL 6 HG22 VAL 6 91.170 5.993 -8.300 54 3HG2 VAL 6 HG23 VAL 6 89.880 7.072 -7.771 55 H SER 7 HN SER 7 89.640 1.817 -8.602 56 HA SER 7 HA SER 7 87.408 0.806 -10.210 57 1HB SER 7 HB2 SER 7 88.734 -0.595 -7.898 58 2HB SER 7 HB1 SER 7 87.909 -1.310 -9.277 59 HG SER 7 HG SER 7 89.718 -1.203 -10.330 60 H PHE 8 HN PHE 8 85.519 1.752 -9.574 61 HA PHE 8 HA PHE 8 84.792 2.017 -6.728 62 1HB PHE 8 HB2 PHE 8 82.578 2.784 -7.805 63 2HB PHE 8 HB1 PHE 8 83.995 3.791 -8.091 64 HD1 PHE 8 HD1 PHE 8 81.924 1.059 -9.559 65 HD2 PHE 8 HD2 PHE 8 84.804 4.161 -10.291 66 HE1 PHE 8 HE1 PHE 8 81.650 0.737 -12.002 67 HE2 PHE 8 HE2 PHE 8 84.530 3.839 -12.734 68 HZ PHE 8 HZ PHE 8 82.953 2.128 -13.590 69 H PHE 9 HN PHE 9 83.136 0.794 -5.729 70 HA PHE 9 HA PHE 9 82.129 -1.600 -7.240 71 1HB PHE 9 HB2 PHE 9 83.339 -1.423 -4.475 72 2HB PHE 9 HB1 PHE 9 82.249 -2.736 -4.915 73 HD1 PHE 9 HD1 PHE 9 85.399 -1.019 -5.962 74 HD2 PHE 9 HD2 PHE 9 83.044 -4.609 -6.123 75 HE1 PHE 9 HE1 PHE 9 87.279 -2.207 -7.058 76 HE2 PHE 9 HE2 PHE 9 84.927 -5.795 -7.220 77 HZ PHE 9 HZ PHE 9 87.044 -4.592 -7.688 78 H LEU 10 HN LEU 10 79.930 -1.768 -7.144 79 HA LEU 10 HA LEU 10 78.414 0.185 -5.590 80 1HB LEU 10 HB2 LEU 10 77.696 -0.647 -7.852 81 2HB LEU 10 HB1 LEU 10 77.403 -2.222 -7.127 82 HG LEU 10 HG LEU 10 75.894 -0.861 -5.423 83 1HD1 LEU 10 HD11 LEU 10 76.081 0.994 -7.812 84 2HD1 LEU 10 HD12 LEU 10 76.466 1.371 -6.132 85 3HD1 LEU 10 HD13 LEU 10 74.796 1.061 -6.607 86 1HD2 LEU 10 HD21 LEU 10 75.020 -1.282 -8.300 87 2HD2 LEU 10 HD22 LEU 10 73.964 -1.201 -6.890 88 3HD2 LEU 10 HD23 LEU 10 75.089 -2.546 -7.072 89 H VAL 11 HN VAL 11 78.504 -0.161 -3.441 90 HA VAL 11 HA VAL 11 77.752 -2.877 -2.409 91 HB VAL 11 HB VAL 11 78.922 -2.317 -0.368 92 1HG1 VAL 11 HG11 VAL 11 81.154 -2.397 -1.162 93 2HG1 VAL 11 HG12 VAL 11 80.783 -1.399 -2.569 94 3HG1 VAL 11 HG13 VAL 11 80.213 -3.065 -2.496 95 1HG2 VAL 11 HG21 VAL 11 80.245 -0.109 -0.338 96 2HG2 VAL 11 HG22 VAL 11 78.503 0.002 -0.092 97 3HG2 VAL 11 HG23 VAL 11 79.199 0.396 -1.665 98 H LYS 12 HN LYS 12 76.081 -2.902 -0.843 99 HA LYS 12 HA LYS 12 74.459 -0.379 -0.760 100 1HB LYS 12 HB2 LYS 12 73.801 -3.237 -1.094 101 2HB LYS 12 HB1 LYS 12 72.805 -2.449 0.127 102 1HG LYS 12 HG2 LYS 12 72.095 -0.757 -1.450 103 2HG LYS 12 HG1 LYS 12 73.221 -1.360 -2.675 104 1HD LYS 12 HD2 LYS 12 72.017 -3.516 -2.711 105 2HD LYS 12 HD1 LYS 12 70.897 -2.906 -1.493 106 1HE LYS 12 HE2 LYS 12 69.847 -2.641 -3.656 107 2HE LYS 12 HE1 LYS 12 70.305 -1.039 -3.074 108 1HZ LYS 12 HZ1 LYS 12 71.648 -0.769 -4.797 109 2HZ LYS 12 HZ2 LYS 12 71.026 -2.203 -5.462 110 3HZ LYS 12 HZ3 LYS 12 72.434 -2.245 -4.512 111 H GLU 13 HN GLU 13 73.985 0.523 1.144 112 HA GLU 13 HA GLU 13 75.071 -0.774 3.621 113 1HB GLU 13 HB2 GLU 13 74.380 2.142 3.174 114 2HB GLU 13 HB1 GLU 13 75.243 1.452 4.547 115 1HG GLU 13 HG2 GLU 13 76.991 0.638 2.895 116 2HG GLU 13 HG1 GLU 13 76.189 1.632 1.680 117 H LYS 14 HN LYS 14 73.710 -0.442 5.572 118 HA LYS 14 HA LYS 14 70.787 -0.379 4.884 119 1HB LYS 14 HB2 LYS 14 71.945 -1.671 7.358 120 2HB LYS 14 HB1 LYS 14 70.393 -1.970 6.585 121 1HG LYS 14 HG2 LYS 14 73.060 -2.642 5.296 122 2HG LYS 14 HG1 LYS 14 72.119 -3.787 6.240 123 1HD LYS 14 HD2 LYS 14 71.110 -2.359 3.755 124 2HD LYS 14 HD1 LYS 14 71.707 -4.014 3.799 125 1HE LYS 14 HE2 LYS 14 69.860 -4.182 5.780 126 2HE LYS 14 HE1 LYS 14 69.117 -2.923 4.792 127 1HZ LYS 14 HZ1 LYS 14 68.765 -5.480 4.315 128 2HZ LYS 14 HZ2 LYS 14 70.185 -5.259 3.408 129 3HZ LYS 14 HZ3 LYS 14 68.803 -4.332 3.068 130 H MET 15 HN MET 15 70.264 1.761 5.325 131 HA MET 15 HA MET 15 71.375 3.159 7.588 132 1HB MET 15 HB2 MET 15 69.077 3.748 5.730 133 2HB MET 15 HB1 MET 15 69.371 4.752 7.149 134 1HG MET 15 HG2 MET 15 71.482 4.162 5.057 135 2HG MET 15 HG1 MET 15 70.467 5.605 5.051 136 1HE MET 15 HE1 MET 15 72.502 6.936 4.903 137 2HE MET 15 HE2 MET 15 73.758 5.737 5.203 138 3HE MET 15 HE3 MET 15 73.707 7.209 6.169 139 H LYS 16 HN LYS 16 70.312 3.753 9.477 140 HA LYS 16 HA LYS 16 68.965 1.700 10.858 141 1HB LYS 16 HB2 LYS 16 68.345 4.140 12.189 142 2HB LYS 16 HB1 LYS 16 69.648 3.028 12.564 143 1HG LYS 16 HG2 LYS 16 70.564 5.248 12.208 144 2HG LYS 16 HG1 LYS 16 71.091 4.181 10.916 145 1HD LYS 16 HD2 LYS 16 70.381 5.915 9.556 146 2HD LYS 16 HD1 LYS 16 68.794 5.190 9.780 147 1HE LYS 16 HE2 LYS 16 68.492 7.483 10.301 148 2HE LYS 16 HE1 LYS 16 68.587 6.679 11.867 149 1HZ LYS 16 HZ1 LYS 16 70.242 8.697 10.845 150 2HZ LYS 16 HZ2 LYS 16 71.184 7.299 11.057 151 3HZ LYS 16 HZ3 LYS 16 70.313 7.946 12.364 152 H GLY 17 HN GLY 17 67.372 4.820 10.810 153 1HA GLY 17 HA2 GLY 17 64.779 4.117 11.098 154 2HA GLY 17 HA1 GLY 17 65.225 5.459 10.054 155 H LYS 18 HN LYS 18 66.604 3.608 8.133 156 HA LYS 18 HA LYS 18 64.096 2.679 6.768 157 1HB LYS 18 HB2 LYS 18 66.868 2.976 5.588 158 2HB LYS 18 HB1 LYS 18 65.386 2.615 4.722 159 1HG LYS 18 HG2 LYS 18 65.836 4.953 4.451 160 2HG LYS 18 HG1 LYS 18 64.441 4.777 5.502 161 1HD LYS 18 HD2 LYS 18 65.532 5.619 7.349 162 2HD LYS 18 HD1 LYS 18 67.073 4.901 6.893 163 1HE LYS 18 HE2 LYS 18 67.137 7.375 6.763 164 2HE LYS 18 HE1 LYS 18 67.397 6.636 5.183 165 1HZ LYS 18 HZ1 LYS 18 64.999 8.005 6.214 166 2HZ LYS 18 HZ2 LYS 18 64.866 6.876 4.951 167 3HZ LYS 18 HZ3 LYS 18 65.830 8.262 4.758 168 H ASN 19 HN ASN 19 63.645 0.569 6.725 169 HA ASN 19 HA ASN 19 65.637 -1.407 7.585 170 1HB ASN 19 HB2 ASN 19 63.054 -1.486 7.946 171 2HB ASN 19 HB1 ASN 19 62.989 -2.030 6.275 172 1HD2 ASN 19 HD21 ASN 19 62.360 -4.225 6.783 173 2HD2 ASN 19 HD22 ASN 19 63.404 -5.302 7.575 174 H LYS 20 HN LYS 20 65.082 0.407 4.985 175 HA LYS 20 HA LYS 20 65.469 -1.512 2.836 176 1HB LYS 20 HB2 LYS 20 64.583 1.162 3.070 177 2HB LYS 20 HB1 LYS 20 66.041 1.253 2.103 178 1HG LYS 20 HG2 LYS 20 64.349 0.916 0.510 179 2HG LYS 20 HG1 LYS 20 65.012 -0.690 0.739 180 1HD LYS 20 HD2 LYS 20 62.678 -1.043 0.867 181 2HD LYS 20 HD1 LYS 20 63.194 -1.000 2.550 182 1HE LYS 20 HE2 LYS 20 62.264 1.119 2.919 183 2HE LYS 20 HE1 LYS 20 62.289 1.547 1.210 184 1HZ LYS 20 HZ1 LYS 20 60.637 -0.696 2.162 185 2HZ LYS 20 HZ2 LYS 20 60.451 0.254 0.766 186 3HZ LYS 20 HZ3 LYS 20 60.073 0.898 2.292 187 H LEU 21 HN LEU 21 67.285 -0.434 1.214 188 HA LEU 21 HA LEU 21 69.861 -0.472 2.740 189 1HB LEU 21 HB2 LEU 21 69.778 -1.422 -0.105 190 2HB LEU 21 HB1 LEU 21 70.820 -1.934 1.214 191 HG LEU 21 HG LEU 21 68.446 -2.797 2.202 192 1HD1 LEU 21 HD11 LEU 21 67.146 -2.002 0.274 193 2HD1 LEU 21 HD12 LEU 21 67.106 -3.763 0.356 194 3HD1 LEU 21 HD13 LEU 21 68.155 -2.957 -0.812 195 1HD2 LEU 21 HD21 LEU 21 70.500 -4.169 1.777 196 2HD2 LEU 21 HD22 LEU 21 69.991 -4.339 0.098 197 3HD2 LEU 21 HD23 LEU 21 69.006 -5.019 1.389 198 H VAL 22 HN VAL 22 71.611 0.741 1.673 199 HA VAL 22 HA VAL 22 70.575 2.930 -0.109 200 HB VAL 22 HB VAL 22 72.446 3.038 2.252 201 1HG1 VAL 22 HG11 VAL 22 72.046 5.038 0.016 202 2HG1 VAL 22 HG12 VAL 22 73.566 4.376 0.618 203 3HG1 VAL 22 HG13 VAL 22 72.646 5.510 1.606 204 1HG2 VAL 22 HG21 VAL 22 69.861 4.429 1.505 205 2HG2 VAL 22 HG22 VAL 22 70.852 4.877 2.889 206 3HG2 VAL 22 HG23 VAL 22 70.114 3.279 2.817 207 HA PRO 23 HA PRO 23 73.877 1.045 -2.653 208 1HB PRO 23 HB2 PRO 23 73.436 3.349 -4.446 209 2HB PRO 23 HB1 PRO 23 73.285 1.641 -4.805 210 1HG PRO 23 HG2 PRO 23 71.138 3.392 -4.525 211 2HG PRO 23 HG1 PRO 23 71.024 1.634 -4.338 212 1HD PRO 23 HD2 PRO 23 70.922 3.727 -2.250 213 2HD PRO 23 HD1 PRO 23 70.398 2.028 -2.168 214 H ARG 24 HN ARG 24 76.056 1.603 -2.977 215 HA ARG 24 HA ARG 24 76.990 4.359 -2.509 216 1HB ARG 24 HB2 ARG 24 76.678 3.124 -0.228 217 2HB ARG 24 HB1 ARG 24 78.083 2.192 -0.713 218 1HG ARG 24 HG2 ARG 24 79.135 3.919 0.426 219 2HG ARG 24 HG1 ARG 24 79.124 4.596 -1.202 220 1HD ARG 24 HD2 ARG 24 78.301 6.323 0.227 221 2HD ARG 24 HD1 ARG 24 76.878 5.661 -0.579 222 HE ARG 24 HE ARG 24 77.055 4.181 1.752 223 1HH1 ARG 24 HH21 ARG 24 76.999 7.521 0.909 224 2HH1 ARG 24 HH22 ARG 24 76.225 8.017 2.377 225 1HH2 ARG 24 HH11 ARG 24 76.047 4.806 3.678 226 2HH2 ARG 24 HH12 ARG 24 75.688 6.480 3.948 227 H LEU 25 HN LEU 25 79.096 4.642 -3.404 228 HA LEU 25 HA LEU 25 80.163 2.266 -4.893 229 1HB LEU 25 HB2 LEU 25 80.490 5.232 -5.355 230 2HB LEU 25 HB1 LEU 25 81.307 4.001 -6.299 231 HG LEU 25 HG LEU 25 78.299 4.046 -5.994 232 1HD1 LEU 25 HD11 LEU 25 78.161 5.286 -8.094 233 2HD1 LEU 25 HD12 LEU 25 79.920 5.360 -8.195 234 3HD1 LEU 25 HD13 LEU 25 79.074 6.231 -6.917 235 1HD2 LEU 25 HD21 LEU 25 78.514 2.911 -8.277 236 2HD2 LEU 25 HD22 LEU 25 79.087 1.975 -6.903 237 3HD2 LEU 25 HD23 LEU 25 80.241 2.790 -7.954 238 H LEU 26 HN LEU 26 82.309 1.666 -4.551 239 HA LEU 26 HA LEU 26 83.839 3.199 -2.476 240 1HB LEU 26 HB2 LEU 26 82.746 1.087 -1.627 241 2HB LEU 26 HB1 LEU 26 83.727 0.189 -2.778 242 HG LEU 26 HG LEU 26 85.770 1.309 -1.694 243 1HD1 LEU 26 HD11 LEU 26 83.596 2.072 0.265 244 2HD1 LEU 26 HD12 LEU 26 84.861 3.089 -0.420 245 3HD1 LEU 26 HD13 LEU 26 85.268 1.872 0.783 246 1HD2 LEU 26 HD21 LEU 26 85.353 -1.015 -1.294 247 2HD2 LEU 26 HD22 LEU 26 84.000 -0.655 -0.221 248 3HD2 LEU 26 HD23 LEU 26 85.650 -0.291 0.287 249 H GLY 27 HN GLY 27 85.502 4.051 -3.591 250 1HA GLY 27 HA2 GLY 27 86.789 2.642 -5.808 251 2HA GLY 27 HA1 GLY 27 87.181 4.253 -5.253 252 H ILE 28 HN ILE 28 88.497 1.318 -5.556 253 HA ILE 28 HA ILE 28 89.961 1.342 -2.952 254 HB ILE 28 HB ILE 28 89.836 -0.687 -5.213 255 1HG1 ILE 28 HG12 ILE 28 88.836 -2.119 -3.451 256 2HG1 ILE 28 HG11 ILE 28 88.928 -0.775 -2.317 257 1HG2 ILE 28 HG21 ILE 28 92.074 -0.796 -4.379 258 2HG2 ILE 28 HG22 ILE 28 91.198 -2.094 -3.574 259 3HG2 ILE 28 HG23 ILE 28 91.536 -0.594 -2.711 260 1HD1 ILE 28 HD11 ILE 28 87.226 0.401 -3.366 261 2HD1 ILE 28 HD12 ILE 28 86.699 -1.253 -3.657 262 3HD1 ILE 28 HD13 ILE 28 87.516 -0.355 -4.934 263 H THR 29 HN THR 29 91.721 2.690 -3.024 264 HA THR 29 HA THR 29 93.197 2.990 -5.601 265 HB THR 29 HB THR 29 93.913 4.574 -3.147 266 HG1 THR 29 HG1 THR 29 91.722 5.279 -4.773 267 1HG2 THR 29 HG21 THR 29 94.240 6.335 -4.819 268 2HG2 THR 29 HG22 THR 29 93.560 5.294 -6.071 269 3HG2 THR 29 HG23 THR 29 95.094 4.872 -5.310 270 H LYS 30 HN LYS 30 95.632 3.006 -5.386 271 HA LYS 30 HA LYS 30 96.485 0.586 -4.055 272 1HB LYS 30 HB2 LYS 30 98.692 1.107 -4.956 273 2HB LYS 30 HB1 LYS 30 97.475 1.408 -6.196 274 1HG LYS 30 HG2 LYS 30 97.445 3.835 -5.350 275 2HG LYS 30 HG1 LYS 30 98.914 3.424 -4.470 276 1HD LYS 30 HD2 LYS 30 99.834 4.229 -6.450 277 2HD LYS 30 HD1 LYS 30 99.709 2.514 -6.840 278 1HE LYS 30 HE2 LYS 30 98.814 3.813 -8.696 279 2HE LYS 30 HE1 LYS 30 97.482 2.976 -7.904 280 1HZ LYS 30 HZ1 LYS 30 97.834 5.734 -8.276 281 2HZ LYS 30 HZ2 LYS 30 97.847 5.416 -6.607 282 3HZ LYS 30 HZ3 LYS 30 96.528 4.925 -7.559 283 H GLU 31 HN GLU 31 96.241 3.864 -3.121 284 HA GLU 31 HA GLU 31 98.067 3.418 -0.785 285 1HB GLU 31 HB2 GLU 31 97.122 5.977 -2.094 286 2HB GLU 31 HB1 GLU 31 98.096 5.906 -0.632 287 1HG GLU 31 HG2 GLU 31 99.564 4.312 -2.334 288 2HG GLU 31 HG1 GLU 31 98.894 5.487 -3.454 289 H CYS 32 HN CYS 32 94.758 3.768 -1.674 290 HA CYS 32 HA CYS 32 93.919 3.536 1.081 291 1HB CYS 32 HB2 CYS 32 92.670 5.904 0.869 292 2HB CYS 32 HB1 CYS 32 94.304 5.789 1.503 293 HG CYS 32 HG CYS 32 95.249 6.651 -0.707 294 H VAL 33 HN VAL 33 91.516 3.730 1.293 295 HA VAL 33 HA VAL 33 90.136 2.949 -1.261 296 HB VAL 33 HB VAL 33 89.253 2.481 1.610 297 1HG1 VAL 33 HG11 VAL 33 87.610 1.001 0.645 298 2HG1 VAL 33 HG12 VAL 33 88.315 1.185 -0.962 299 3HG1 VAL 33 HG13 VAL 33 87.493 2.546 -0.197 300 1HG2 VAL 33 HG21 VAL 33 91.369 1.270 1.002 301 2HG2 VAL 33 HG22 VAL 33 90.493 0.501 -0.322 302 3HG2 VAL 33 HG23 VAL 33 90.016 0.193 1.347 303 H MET 34 HN MET 34 88.591 4.429 -2.011 304 HA MET 34 HA MET 34 88.005 6.742 -0.209 305 1HB MET 34 HB2 MET 34 87.224 7.856 -2.304 306 2HB MET 34 HB1 MET 34 88.933 7.437 -2.284 307 1HG MET 34 HG2 MET 34 88.517 5.456 -3.626 308 2HG MET 34 HG1 MET 34 86.777 5.723 -3.528 309 1HE MET 34 HE1 MET 34 89.471 8.767 -4.126 310 2HE MET 34 HE2 MET 34 89.934 8.181 -5.720 311 3HE MET 34 HE3 MET 34 90.111 7.129 -4.318 312 H ARG 35 HN ARG 35 85.962 7.360 0.341 313 HA ARG 35 HA ARG 35 83.828 5.332 -0.193 314 1HB ARG 35 HB2 ARG 35 84.000 7.757 1.619 315 2HB ARG 35 HB1 ARG 35 82.510 6.857 1.386 316 1HG ARG 35 HG2 ARG 35 84.034 4.774 2.035 317 2HG ARG 35 HG1 ARG 35 85.042 6.017 2.779 318 1HD ARG 35 HD2 ARG 35 82.296 5.095 3.533 319 2HD ARG 35 HD1 ARG 35 83.629 5.604 4.569 320 HE ARG 35 HE ARG 35 82.878 7.938 3.287 321 1HH1 ARG 35 HH21 ARG 35 81.304 5.457 5.092 322 2HH1 ARG 35 HH22 ARG 35 80.086 6.509 5.731 323 1HH2 ARG 35 HH11 ARG 35 81.295 9.326 4.112 324 2HH2 ARG 35 HH12 ARG 35 80.080 8.700 5.175 325 H VAL 36 HN VAL 36 82.365 5.723 -1.809 326 HA VAL 36 HA VAL 36 82.001 8.551 -2.708 327 HB VAL 36 HB VAL 36 82.336 6.095 -4.434 328 1HG1 VAL 36 HG11 VAL 36 82.145 7.758 -6.319 329 2HG1 VAL 36 HG12 VAL 36 81.638 8.963 -5.137 330 3HG1 VAL 36 HG13 VAL 36 80.640 7.541 -5.428 331 1HG2 VAL 36 HG21 VAL 36 83.965 8.636 -4.423 332 2HG2 VAL 36 HG22 VAL 36 84.363 7.094 -5.181 333 3HG2 VAL 36 HG23 VAL 36 84.389 7.245 -3.425 334 H ASP 37 HN ASP 37 79.936 9.141 -2.576 335 HA ASP 37 HA ASP 37 77.824 7.273 -1.975 336 1HB ASP 37 HB2 ASP 37 77.960 10.207 -2.664 337 2HB ASP 37 HB1 ASP 37 76.392 9.403 -2.633 338 H GLU 38 HN GLU 38 76.122 6.600 -3.330 339 HA GLU 38 HA GLU 38 76.865 6.395 -6.183 340 1HB GLU 38 HB2 GLU 38 75.939 4.524 -4.592 341 2HB GLU 38 HB1 GLU 38 74.385 5.275 -4.910 342 1HG GLU 38 HG2 GLU 38 76.266 4.339 -7.088 343 2HG GLU 38 HG1 GLU 38 74.948 3.366 -6.441 344 H LYS 39 HN LYS 39 74.925 8.121 -4.062 345 HA LYS 39 HA LYS 39 72.875 8.988 -5.909 346 1HB LYS 39 HB2 LYS 39 72.588 8.852 -3.441 347 2HB LYS 39 HB1 LYS 39 73.763 10.147 -3.271 348 1HG LYS 39 HG2 LYS 39 72.314 11.623 -4.653 349 2HG LYS 39 HG1 LYS 39 71.113 10.333 -4.728 350 1HD LYS 39 HD2 LYS 39 71.055 10.343 -2.212 351 2HD LYS 39 HD1 LYS 39 72.093 11.770 -2.249 352 1HE LYS 39 HE2 LYS 39 70.326 12.816 -3.793 353 2HE LYS 39 HE1 LYS 39 69.274 11.489 -3.300 354 1HZ LYS 39 HZ1 LYS 39 69.959 12.204 -0.936 355 2HZ LYS 39 HZ2 LYS 39 68.790 13.117 -1.766 356 3HZ LYS 39 HZ3 LYS 39 70.393 13.670 -1.670 357 H THR 40 HN THR 40 75.664 10.565 -4.359 358 HA THR 40 HA THR 40 75.511 12.770 -6.355 359 HB THR 40 HB THR 40 77.327 13.754 -4.823 360 HG1 THR 40 HG1 THR 40 77.614 12.772 -2.897 361 1HG2 THR 40 HG21 THR 40 74.925 14.409 -4.790 362 2HG2 THR 40 HG22 THR 40 75.672 14.499 -3.195 363 3HG2 THR 40 HG23 THR 40 74.623 13.141 -3.602 364 H LYS 41 HN LYS 41 77.109 9.807 -5.988 365 HA LYS 41 HA LYS 41 79.065 8.950 -6.994 366 1HB LYS 41 HB2 LYS 41 78.569 11.225 -8.935 367 2HB LYS 41 HB1 LYS 41 79.494 9.766 -9.255 368 1HG LYS 41 HG2 LYS 41 76.626 9.512 -8.359 369 2HG LYS 41 HG1 LYS 41 76.961 9.937 -10.030 370 1HD LYS 41 HD2 LYS 41 78.191 7.551 -8.633 371 2HD LYS 41 HD1 LYS 41 76.723 7.456 -9.596 372 1HE LYS 41 HE2 LYS 41 78.348 8.709 -11.385 373 2HE LYS 41 HE1 LYS 41 79.551 7.787 -10.483 374 1HZ LYS 41 HZ1 LYS 41 77.663 6.873 -12.377 375 2HZ LYS 41 HZ2 LYS 41 77.418 6.083 -10.893 376 3HZ LYS 41 HZ3 LYS 41 78.940 6.028 -11.647 377 H GLU 42 HN GLU 42 79.212 11.354 -5.070 378 HA GLU 42 HA GLU 42 81.856 12.471 -5.926 379 1HB GLU 42 HB2 GLU 42 79.816 13.927 -5.154 380 2HB GLU 42 HB1 GLU 42 80.286 13.425 -3.540 381 1HG GLU 42 HG2 GLU 42 82.463 14.387 -3.781 382 2HG GLU 42 HG1 GLU 42 82.205 14.697 -5.492 383 H VAL 43 HN VAL 43 83.489 12.686 -4.160 384 HA VAL 43 HA VAL 43 83.692 10.166 -2.659 385 HB VAL 43 HB VAL 43 85.540 12.535 -3.030 386 1HG1 VAL 43 HG11 VAL 43 85.824 10.150 -1.188 387 2HG1 VAL 43 HG12 VAL 43 85.988 11.857 -0.780 388 3HG1 VAL 43 HG13 VAL 43 87.215 11.066 -1.767 389 1HG2 VAL 43 HG21 VAL 43 85.233 10.750 -4.821 390 2HG2 VAL 43 HG22 VAL 43 85.936 9.607 -3.675 391 3HG2 VAL 43 HG23 VAL 43 86.887 10.972 -4.250 392 H ILE 44 HN ILE 44 83.253 9.925 -0.509 393 HA ILE 44 HA ILE 44 82.478 12.367 1.033 394 HB ILE 44 HB ILE 44 81.710 9.502 1.600 395 1HG1 ILE 44 HG12 ILE 44 80.777 10.074 -0.561 396 2HG1 ILE 44 HG11 ILE 44 79.487 10.180 0.633 397 1HG2 ILE 44 HG21 ILE 44 79.937 10.614 2.948 398 2HG2 ILE 44 HG22 ILE 44 80.653 12.177 2.554 399 3HG2 ILE 44 HG23 ILE 44 81.559 11.010 3.515 400 1HD1 ILE 44 HD11 ILE 44 79.219 12.152 -0.617 401 2HD1 ILE 44 HD12 ILE 44 80.956 12.413 -0.752 402 3HD1 ILE 44 HD13 ILE 44 80.140 12.699 0.783 403 H GLN 45 HN GLN 45 84.544 9.512 1.045 404 HA GLN 45 HA GLN 45 86.135 10.708 3.177 405 1HB GLN 45 HB2 GLN 45 84.293 9.682 4.484 406 2HB GLN 45 HB1 GLN 45 84.691 8.117 3.782 407 1HG GLN 45 HG2 GLN 45 86.760 7.987 4.886 408 2HG GLN 45 HG1 GLN 45 86.809 9.724 5.200 409 1HE2 GLN 45 HE21 GLN 45 87.197 8.888 7.520 410 2HE2 GLN 45 HE22 GLN 45 85.827 8.559 8.462 411 H GLU 46 HN GLU 46 87.981 9.305 3.757 412 HA GLU 46 HA GLU 46 88.699 7.238 1.781 413 1HB GLU 46 HB2 GLU 46 90.078 9.867 2.210 414 2HB GLU 46 HB1 GLU 46 91.054 8.461 1.787 415 1HG GLU 46 HG2 GLU 46 89.870 8.143 -0.264 416 2HG GLU 46 HG1 GLU 46 88.621 9.302 0.194 417 H TRP 47 HN TRP 47 90.533 5.919 2.461 418 HA TRP 47 HA TRP 47 91.222 6.117 5.353 419 1HB TRP 47 HB2 TRP 47 90.153 3.675 3.928 420 2HB TRP 47 HB1 TRP 47 90.933 3.617 5.498 421 HD1 TRP 47 HD1 TRP 47 89.654 5.994 7.010 422 HE1 TRP 47 HE1 TRP 47 87.140 6.027 7.560 423 HE3 TRP 47 HE3 TRP 47 87.937 2.667 3.535 424 HZ2 TRP 47 HZ2 TRP 47 84.730 4.807 6.666 425 HZ3 TRP 47 HZ3 TRP 47 85.525 2.117 3.411 426 HH2 TRP 47 HH2 TRP 47 83.918 3.182 4.972 427 H SER 48 HN SER 48 93.287 5.317 5.831 428 HA SER 48 HA SER 48 95.079 5.006 3.534 429 1HB SER 48 HB2 SER 48 95.812 4.600 6.427 430 2HB SER 48 HB1 SER 48 96.858 5.092 5.103 431 HG SER 48 HG SER 48 96.372 6.961 6.091 432 H LEU 49 HN LEU 49 95.743 3.063 2.701 433 HA LEU 49 HA LEU 49 94.483 0.635 3.350 434 1HB LEU 49 HB2 LEU 49 96.938 1.422 1.839 435 2HB LEU 49 HB1 LEU 49 96.820 -0.275 2.290 436 HG LEU 49 HG LEU 49 94.457 1.089 1.001 437 1HD1 LEU 49 HD11 LEU 49 96.408 1.573 -0.445 438 2HD1 LEU 49 HD12 LEU 49 95.304 0.430 -1.209 439 3HD1 LEU 49 HD13 LEU 49 96.801 -0.146 -0.477 440 1HD2 LEU 49 HD21 LEU 49 93.890 -1.139 0.327 441 2HD2 LEU 49 HD22 LEU 49 94.397 -1.262 2.011 442 3HD2 LEU 49 HD23 LEU 49 95.499 -1.742 0.721 443 H THR 50 HN THR 50 97.317 2.156 4.743 444 HA THR 50 HA THR 50 98.186 -0.174 6.221 445 HB THR 50 HB THR 50 99.572 1.475 7.489 446 HG1 THR 50 HG1 THR 50 98.617 3.444 5.740 447 1HG2 THR 50 HG21 THR 50 100.253 0.519 5.256 448 2HG2 THR 50 HG22 THR 50 100.975 2.086 5.623 449 3HG2 THR 50 HG23 THR 50 99.616 1.981 4.504 450 H ASN 51 HN ASN 51 95.476 1.731 6.500 451 HA ASN 51 HA ASN 51 95.344 1.697 9.457 452 1HB ASN 51 HB2 ASN 51 94.417 3.585 8.007 453 2HB ASN 51 HB1 ASN 51 93.144 2.466 7.527 454 1HD2 ASN 51 HD21 ASN 51 92.756 4.924 9.113 455 2HD2 ASN 51 HD22 ASN 51 92.133 4.438 10.614 456 H ILE 52 HN ILE 52 93.879 0.066 6.673 457 HA ILE 52 HA ILE 52 91.878 -1.377 8.080 458 HB ILE 52 HB ILE 52 93.458 -2.196 5.623 459 1HG1 ILE 52 HG12 ILE 52 90.701 -0.950 5.828 460 2HG1 ILE 52 HG11 ILE 52 92.165 -0.011 5.538 461 1HG2 ILE 52 HG21 ILE 52 92.390 -4.148 6.522 462 2HG2 ILE 52 HG22 ILE 52 91.367 -3.582 5.201 463 3HG2 ILE 52 HG23 ILE 52 90.911 -3.253 6.873 464 1HD1 ILE 52 HD11 ILE 52 91.047 -2.219 3.789 465 2HD1 ILE 52 HD12 ILE 52 92.624 -1.468 3.540 466 3HD1 ILE 52 HD13 ILE 52 91.155 -0.504 3.392 467 H LYS 53 HN LYS 53 92.313 -2.606 9.848 468 HA LYS 53 HA LYS 53 94.877 -3.963 10.193 469 1HB LYS 53 HB2 LYS 53 93.753 -3.103 12.167 470 2HB LYS 53 HB1 LYS 53 92.296 -4.023 11.787 471 1HG LYS 53 HG2 LYS 53 93.370 -6.101 12.231 472 2HG LYS 53 HG1 LYS 53 94.969 -5.358 12.239 473 1HD LYS 53 HD2 LYS 53 94.553 -4.246 14.309 474 2HD LYS 53 HD1 LYS 53 92.824 -4.588 14.226 475 1HE LYS 53 HE2 LYS 53 94.868 -6.809 14.326 476 2HE LYS 53 HE1 LYS 53 94.231 -6.074 15.793 477 1HZ LYS 53 HZ1 LYS 53 92.907 -7.965 15.253 478 2HZ LYS 53 HZ2 LYS 53 92.673 -7.422 13.659 479 3HZ LYS 53 HZ3 LYS 53 91.978 -6.576 14.959 480 H ARG 54 HN ARG 54 91.502 -4.969 9.616 481 HA ARG 54 HA ARG 54 92.471 -7.355 8.193 482 1HB ARG 54 HB2 ARG 54 91.725 -8.992 9.660 483 2HB ARG 54 HB1 ARG 54 92.119 -7.750 10.840 484 1HG ARG 54 HG2 ARG 54 89.680 -6.965 10.577 485 2HG ARG 54 HG1 ARG 54 89.397 -8.485 9.747 486 1HD ARG 54 HD2 ARG 54 88.847 -9.054 11.936 487 2HD ARG 54 HD1 ARG 54 90.546 -9.530 11.880 488 HE ARG 54 HE ARG 54 90.588 -6.873 12.728 489 1HH1 ARG 54 HH21 ARG 54 89.079 -9.816 13.701 490 2HH1 ARG 54 HH22 ARG 54 89.020 -9.386 15.377 491 1HH2 ARG 54 HH11 ARG 54 90.521 -6.296 14.912 492 2HH2 ARG 54 HH12 ARG 54 89.837 -7.394 16.063 493 H TRP 55 HN TRP 55 90.322 -8.682 7.604 494 HA TRP 55 HA TRP 55 87.957 -6.995 7.275 495 1HB TRP 55 HB2 TRP 55 87.922 -7.170 4.795 496 2HB TRP 55 HB1 TRP 55 89.269 -6.192 5.372 497 HD1 TRP 55 HD1 TRP 55 88.511 -9.742 4.089 498 HE1 TRP 55 HE1 TRP 55 90.667 -10.704 3.043 499 HE3 TRP 55 HE3 TRP 55 91.788 -5.995 5.215 500 HZ2 TRP 55 HZ2 TRP 55 93.411 -9.968 2.713 501 HZ3 TRP 55 HZ3 TRP 55 94.161 -6.149 4.522 502 HH2 TRP 55 HH2 TRP 55 94.973 -8.132 3.273 503 H ALA 56 HN ALA 56 86.269 -8.282 5.981 504 HA ALA 56 HA ALA 56 86.724 -11.210 6.018 505 1HB ALA 56 HB1 ALA 56 85.912 -11.047 8.224 506 2HB ALA 56 HB2 ALA 56 84.451 -11.388 7.295 507 3HB ALA 56 HB3 ALA 56 84.799 -9.742 7.821 508 H ALA 57 HN ALA 57 86.077 -11.717 3.985 509 HA ALA 57 HA ALA 57 83.880 -10.152 2.726 510 1HB ALA 57 HB1 ALA 57 85.915 -12.081 1.594 511 2HB ALA 57 HB2 ALA 57 85.902 -10.328 1.421 512 3HB ALA 57 HB3 ALA 57 84.654 -11.297 0.641 513 H SER 58 HN SER 58 81.965 -11.037 2.162 514 HA SER 58 HA SER 58 81.561 -13.960 2.616 515 1HB SER 58 HB2 SER 58 80.212 -11.651 3.801 516 2HB SER 58 HB1 SER 58 79.066 -12.725 3.007 517 HG SER 58 HG SER 58 80.001 -13.070 5.344 518 HA PRO 59 HA PRO 59 79.991 -14.162 -1.477 519 1HB PRO 59 HB2 PRO 59 77.499 -15.478 -1.000 520 2HB PRO 59 HB1 PRO 59 79.047 -16.249 -1.371 521 1HG PRO 59 HG2 PRO 59 77.654 -16.037 1.233 522 2HG PRO 59 HG1 PRO 59 78.942 -17.151 0.743 523 1HD PRO 59 HD2 PRO 59 79.268 -14.956 2.466 524 2HD PRO 59 HD1 PRO 59 80.582 -15.793 1.616 525 H LYS 60 HN LYS 60 78.593 -12.239 0.859 526 HA LYS 60 HA LYS 60 76.932 -10.846 -1.172 527 1HB LYS 60 HB2 LYS 60 74.995 -10.799 0.326 528 2HB LYS 60 HB1 LYS 60 75.443 -12.459 -0.045 529 1HG LYS 60 HG2 LYS 60 76.884 -12.329 2.116 530 2HG LYS 60 HG1 LYS 60 75.891 -10.925 2.497 531 1HD LYS 60 HD2 LYS 60 73.857 -12.362 2.146 532 2HD LYS 60 HD1 LYS 60 74.939 -13.746 1.984 533 1HE LYS 60 HE2 LYS 60 74.983 -11.928 4.402 534 2HE LYS 60 HE1 LYS 60 73.971 -13.370 4.317 535 1HZ LYS 60 HZ1 LYS 60 76.182 -14.493 3.616 536 2HZ LYS 60 HZ2 LYS 60 75.875 -14.190 5.259 537 3HZ LYS 60 HZ3 LYS 60 76.901 -13.160 4.379 538 H SER 61 HN SER 61 78.789 -10.792 1.748 539 HA SER 61 HA SER 61 78.403 -7.813 1.909 540 1HB SER 61 HB2 SER 61 77.231 -8.890 3.773 541 2HB SER 61 HB1 SER 61 78.701 -9.751 4.215 542 HG SER 61 HG SER 61 78.835 -6.978 3.935 543 H PHE 62 HN PHE 62 80.166 -6.793 3.248 544 HA PHE 62 HA PHE 62 82.814 -8.109 3.063 545 1HB PHE 62 HB2 PHE 62 82.453 -6.934 0.886 546 2HB PHE 62 HB1 PHE 62 82.172 -5.439 1.770 547 HD1 PHE 62 HD1 PHE 62 84.752 -8.195 1.838 548 HD2 PHE 62 HD2 PHE 62 83.978 -3.968 1.754 549 HE1 PHE 62 HE1 PHE 62 87.183 -7.749 1.857 550 HE2 PHE 62 HE2 PHE 62 86.411 -3.530 1.760 551 HZ PHE 62 HZ PHE 62 88.016 -5.421 1.814 552 H THR 63 HN THR 63 84.190 -7.332 4.747 553 HA THR 63 HA THR 63 83.218 -4.956 6.293 554 HB THR 63 HB THR 63 83.705 -7.751 7.314 555 HG1 THR 63 HG1 THR 63 81.676 -5.973 8.071 556 1HG2 THR 63 HG21 THR 63 83.935 -5.139 8.794 557 2HG2 THR 63 HG22 THR 63 84.962 -6.571 8.906 558 3HG2 THR 63 HG23 THR 63 83.351 -6.583 9.622 559 H LEU 64 HN LEU 64 84.816 -3.815 7.403 560 HA LEU 64 HA LEU 64 87.661 -4.691 6.979 561 1HB LEU 64 HB2 LEU 64 86.638 -1.851 6.826 562 2HB LEU 64 HB1 LEU 64 88.288 -2.381 6.549 563 HG LEU 64 HG LEU 64 85.928 -3.324 4.904 564 1HD1 LEU 64 HD11 LEU 64 87.979 -1.204 4.189 565 2HD1 LEU 64 HD12 LEU 64 86.337 -0.850 4.727 566 3HD1 LEU 64 HD13 LEU 64 86.601 -1.714 3.214 567 1HD2 LEU 64 HD21 LEU 64 88.107 -3.653 3.323 568 2HD2 LEU 64 HD22 LEU 64 87.554 -4.895 4.436 569 3HD2 LEU 64 HD23 LEU 64 88.885 -3.838 4.891 570 H ASP 65 HN ASP 65 89.147 -3.631 8.506 571 HA ASP 65 HA ASP 65 87.880 -2.726 11.065 572 1HB ASP 65 HB2 ASP 65 88.517 -5.101 11.319 573 2HB ASP 65 HB1 ASP 65 90.161 -4.708 10.811 574 H PHE 66 HN PHE 66 88.698 -0.751 11.550 575 HA PHE 66 HA PHE 66 91.351 0.026 10.407 576 1HB PHE 66 HB2 PHE 66 89.135 1.703 11.624 577 2HB PHE 66 HB1 PHE 66 90.621 2.333 10.911 578 HD1 PHE 66 HD1 PHE 66 91.150 1.677 8.468 579 HD2 PHE 66 HD2 PHE 66 87.263 1.249 10.253 580 HE1 PHE 66 HE1 PHE 66 90.125 1.543 6.213 581 HE2 PHE 66 HE2 PHE 66 86.242 1.121 7.998 582 HZ PHE 66 HZ PHE 66 87.673 1.265 5.979 583 H GLY 67 HN GLY 67 90.175 -1.311 13.148 584 1HA GLY 67 HA2 GLY 67 91.140 -1.583 15.275 585 2HA GLY 67 HA1 GLY 67 92.518 -0.644 14.700 586 H ASP 68 HN ASP 68 90.039 1.285 13.947 587 HA ASP 68 HA ASP 68 90.440 2.952 16.338 588 1HB ASP 68 HB2 ASP 68 88.584 3.566 14.051 589 2HB ASP 68 HB1 ASP 68 89.428 4.690 15.107 590 H TYR 69 HN TYR 69 89.307 2.001 18.038 591 HA TYR 69 HA TYR 69 86.887 0.661 18.051 592 1HB TYR 69 HB2 TYR 69 88.213 0.974 20.079 593 2HB TYR 69 HB1 TYR 69 87.858 2.702 20.068 594 HD1 TYR 69 HD1 TYR 69 85.863 3.542 21.037 595 HD2 TYR 69 HD2 TYR 69 86.270 -0.663 20.269 596 HE1 TYR 69 HE1 TYR 69 83.762 3.111 22.287 597 HE2 TYR 69 HE2 TYR 69 84.171 -1.096 21.517 598 HH TYR 69 HH TYR 69 82.767 -0.089 23.156 599 H GLN 70 HN GLN 70 87.302 4.190 18.281 600 HA GLN 70 HA GLN 70 84.625 4.962 18.460 601 1HB GLN 70 HB2 GLN 70 85.318 7.057 17.285 602 2HB GLN 70 HB1 GLN 70 86.411 6.601 18.581 603 1HG GLN 70 HG2 GLN 70 87.729 5.370 16.678 604 2HG GLN 70 HG1 GLN 70 86.834 6.446 15.615 605 1HE2 GLN 70 HE21 GLN 70 89.741 6.547 16.085 606 2HE2 GLN 70 HE22 GLN 70 90.069 8.067 16.765 607 H ASP 71 HN ASP 71 86.459 4.627 15.397 608 HA ASP 71 HA ASP 71 84.108 4.883 13.773 609 1HB ASP 71 HB2 ASP 71 86.621 5.166 13.145 610 2HB ASP 71 HB1 ASP 71 86.584 3.429 12.885 611 H GLY 72 HN GLY 72 85.797 2.165 15.214 612 1HA GLY 72 HA2 GLY 72 85.106 -0.060 15.498 613 2HA GLY 72 HA1 GLY 72 83.487 0.472 15.049 614 H TYR 73 HN TYR 73 83.682 -1.768 13.954 615 HA TYR 73 HA TYR 73 85.320 -1.995 11.582 616 1HB TYR 73 HB2 TYR 73 82.778 -3.488 12.288 617 2HB TYR 73 HB1 TYR 73 83.973 -3.977 11.094 618 HD1 TYR 73 HD1 TYR 73 86.387 -4.320 11.897 619 HD2 TYR 73 HD2 TYR 73 83.018 -4.148 14.541 620 HE1 TYR 73 HE1 TYR 73 87.714 -5.467 13.651 621 HE2 TYR 73 HE2 TYR 73 84.337 -5.295 16.303 622 HH TYR 73 HH TYR 73 86.758 -7.041 15.937 623 H TYR 74 HN TYR 74 84.272 -2.293 9.387 624 HA TYR 74 HA TYR 74 81.951 -0.470 8.948 625 1HB TYR 74 HB2 TYR 74 83.946 0.785 8.335 626 2HB TYR 74 HB1 TYR 74 84.553 -0.581 7.405 627 HD1 TYR 74 HD1 TYR 74 81.749 1.871 7.608 628 HD2 TYR 74 HD2 TYR 74 83.920 -0.899 5.140 629 HE1 TYR 74 HE1 TYR 74 80.519 2.680 5.615 630 HE2 TYR 74 HE2 TYR 74 82.687 -0.088 3.147 631 HH TYR 74 HH TYR 74 81.062 2.722 3.009 632 H SER 75 HN SER 75 80.458 -1.956 8.358 633 HA SER 75 HA SER 75 81.186 -4.016 6.325 634 1HB SER 75 HB2 SER 75 79.687 -5.509 7.331 635 2HB SER 75 HB1 SER 75 80.438 -4.712 8.708 636 HG SER 75 HG SER 75 78.526 -3.156 8.253 637 H VAL 76 HN VAL 76 79.841 -4.347 4.598 638 HA VAL 76 HA VAL 76 77.327 -2.829 4.336 639 HB VAL 76 HB VAL 76 78.037 -1.795 2.181 640 1HG1 VAL 76 HG11 VAL 76 79.942 -1.006 4.399 641 2HG1 VAL 76 HG12 VAL 76 78.221 -0.624 4.447 642 3HG1 VAL 76 HG13 VAL 76 79.235 0.030 3.161 643 1HG2 VAL 76 HG21 VAL 76 80.732 -2.909 3.018 644 2HG2 VAL 76 HG22 VAL 76 80.524 -1.686 1.765 645 3HG2 VAL 76 HG23 VAL 76 79.831 -3.292 1.552 646 H GLN 77 HN GLN 77 76.235 -3.495 2.213 647 HA GLN 77 HA GLN 77 76.561 -6.373 1.885 648 1HB GLN 77 HB2 GLN 77 74.696 -4.273 0.796 649 2HB GLN 77 HB1 GLN 77 74.730 -5.871 0.057 650 1HG GLN 77 HG2 GLN 77 74.456 -5.570 3.049 651 2HG GLN 77 HG1 GLN 77 73.048 -5.437 1.999 652 1HE2 GLN 77 HE21 GLN 77 75.258 -7.675 3.477 653 2HE2 GLN 77 HE22 GLN 77 74.629 -9.085 2.773 654 H THR 78 HN THR 78 77.651 -7.393 0.244 655 HA THR 78 HA THR 78 78.385 -5.880 -2.201 656 HB THR 78 HB THR 78 80.723 -6.472 -2.049 657 HG1 THR 78 HG1 THR 78 80.106 -8.431 -0.755 658 1HG2 THR 78 HG21 THR 78 81.404 -4.979 -0.374 659 2HG2 THR 78 HG22 THR 78 80.093 -5.449 0.707 660 3HG2 THR 78 HG23 THR 78 79.757 -4.462 -0.710 661 H THR 79 HN THR 79 77.971 -7.164 -3.890 662 HA THR 79 HA THR 79 77.358 -9.985 -3.547 663 HB THR 79 HB THR 79 77.805 -8.387 -6.085 664 HG1 THR 79 HG1 THR 79 75.255 -9.003 -5.487 665 1HG2 THR 79 HG21 THR 79 76.463 -11.047 -5.546 666 2HG2 THR 79 HG22 THR 79 77.915 -10.768 -6.508 667 3HG2 THR 79 HG23 THR 79 76.354 -10.176 -7.076 668 H GLU 80 HN GLU 80 80.153 -8.108 -4.207 669 HA GLU 80 HA GLU 80 81.734 -10.580 -4.788 670 1HB GLU 80 HB2 GLU 80 82.401 -7.817 -5.813 671 2HB GLU 80 HB1 GLU 80 83.113 -9.353 -6.300 672 1HG GLU 80 HG2 GLU 80 80.786 -10.039 -7.084 673 2HG GLU 80 HG1 GLU 80 80.316 -8.358 -6.860 674 H GLY 81 HN GLY 81 81.222 -9.419 -2.195 675 1HA GLY 81 HA2 GLY 81 83.196 -7.687 -1.206 676 2HA GLY 81 HA1 GLY 81 82.494 -8.995 -0.256 677 H GLU 82 HN GLU 82 83.615 -10.722 -2.653 678 HA GLU 82 HA GLU 82 86.066 -11.465 -1.248 679 1HB GLU 82 HB2 GLU 82 84.822 -13.282 -2.158 680 2HB GLU 82 HB1 GLU 82 84.637 -12.475 -3.709 681 1HG GLU 82 HG2 GLU 82 86.892 -12.828 -4.294 682 2HG GLU 82 HG1 GLU 82 87.344 -13.234 -2.645 683 H GLN 83 HN GLN 83 85.374 -10.482 -4.602 684 HA GLN 83 HA GLN 83 88.028 -10.081 -5.435 685 1HB GLN 83 HB2 GLN 83 85.700 -8.337 -6.243 686 2HB GLN 83 HB1 GLN 83 87.147 -8.663 -7.179 687 1HG GLN 83 HG2 GLN 83 86.512 -10.949 -7.506 688 2HG GLN 83 HG1 GLN 83 85.212 -10.813 -6.337 689 1HE2 GLN 83 HE21 GLN 83 83.469 -11.226 -7.746 690 2HE2 GLN 83 HE22 GLN 83 83.047 -10.196 -9.026 691 H ILE 84 HN ILE 84 85.785 -7.780 -3.961 692 HA ILE 84 HA ILE 84 87.462 -5.520 -3.859 693 HB ILE 84 HB ILE 84 85.484 -6.511 -1.779 694 1HG1 ILE 84 HG12 ILE 84 85.160 -4.437 -3.971 695 2HG1 ILE 84 HG11 ILE 84 84.639 -6.114 -4.127 696 1HG2 ILE 84 HG21 ILE 84 86.838 -4.885 -0.695 697 2HG2 ILE 84 HG22 ILE 84 85.417 -3.998 -1.239 698 3HG2 ILE 84 HG23 ILE 84 86.928 -3.877 -2.139 699 1HD1 ILE 84 HD11 ILE 84 83.704 -4.560 -1.734 700 2HD1 ILE 84 HD12 ILE 84 82.907 -5.861 -2.615 701 3HD1 ILE 84 HD13 ILE 84 82.954 -4.242 -3.295 702 H ALA 85 HN ALA 85 87.502 -8.484 -2.025 703 HA ALA 85 HA ALA 85 89.486 -7.500 -0.086 704 1HB ALA 85 HB1 ALA 85 88.833 -10.412 -0.506 705 2HB ALA 85 HB2 ALA 85 87.638 -9.349 0.229 706 3HB ALA 85 HB3 ALA 85 89.213 -9.559 0.992 707 H GLN 86 HN GLN 86 89.380 -9.316 -3.090 708 HA GLN 86 HA GLN 86 92.172 -10.162 -2.923 709 1HB GLN 86 HB2 GLN 86 90.268 -11.327 -4.202 710 2HB GLN 86 HB1 GLN 86 90.478 -10.072 -5.410 711 1HG GLN 86 HG2 GLN 86 92.966 -10.713 -5.385 712 2HG GLN 86 HG1 GLN 86 92.454 -12.159 -4.528 713 1HE2 GLN 86 HE21 GLN 86 93.145 -13.440 -6.435 714 2HE2 GLN 86 HE22 GLN 86 92.158 -13.500 -7.811 715 H LEU 87 HN LEU 87 90.318 -7.605 -4.451 716 HA LEU 87 HA LEU 87 92.512 -6.544 -5.987 717 1HB LEU 87 HB2 LEU 87 90.217 -6.013 -6.619 718 2HB LEU 87 HB1 LEU 87 89.914 -5.297 -5.039 719 HG LEU 87 HG LEU 87 91.521 -3.522 -5.480 720 1HD1 LEU 87 HD11 LEU 87 92.404 -3.464 -7.962 721 2HD1 LEU 87 HD12 LEU 87 92.117 -5.203 -7.915 722 3HD1 LEU 87 HD13 LEU 87 93.240 -4.463 -6.775 723 1HD2 LEU 87 HD21 LEU 87 90.407 -2.540 -7.566 724 2HD2 LEU 87 HD22 LEU 87 89.322 -3.015 -6.260 725 3HD2 LEU 87 HD23 LEU 87 89.505 -4.052 -7.675 726 H ILE 88 HN ILE 88 91.098 -5.892 -2.839 727 HA ILE 88 HA ILE 88 92.905 -3.709 -2.205 728 HB ILE 88 HB ILE 88 90.988 -5.405 -0.595 729 1HG1 ILE 88 HG12 ILE 88 90.987 -2.445 -1.269 730 2HG1 ILE 88 HG11 ILE 88 90.136 -3.666 -2.212 731 1HG2 ILE 88 HG21 ILE 88 91.423 -3.611 1.214 732 2HG2 ILE 88 HG22 ILE 88 92.898 -3.246 0.323 733 3HG2 ILE 88 HG23 ILE 88 92.659 -4.851 1.010 734 1HD1 ILE 88 HD11 ILE 88 88.502 -2.806 -0.725 735 2HD1 ILE 88 HD12 ILE 88 89.620 -2.820 0.638 736 3HD1 ILE 88 HD13 ILE 88 89.000 -4.337 -0.009 737 H ALA 89 HN ALA 89 92.675 -7.141 -1.263 738 HA ALA 89 HA ALA 89 94.974 -7.209 0.414 739 1HB ALA 89 HB1 ALA 89 93.422 -9.087 0.342 740 2HB ALA 89 HB2 ALA 89 95.025 -9.651 -0.129 741 3HB ALA 89 HB3 ALA 89 93.795 -9.370 -1.359 742 H GLY 90 HN GLY 90 94.658 -6.824 -2.976 743 1HA GLY 90 HA2 GLY 90 97.361 -7.818 -3.598 744 2HA GLY 90 HA1 GLY 90 96.223 -7.114 -4.743 745 H TYR 91 HN TYR 91 95.810 -4.739 -2.893 746 HA TYR 91 HA TYR 91 98.085 -3.198 -3.942 747 1HB TYR 91 HB2 TYR 91 95.548 -2.483 -2.469 748 2HB TYR 91 HB1 TYR 91 96.818 -1.290 -2.704 749 HD1 TYR 91 HD1 TYR 91 93.824 -2.379 -4.031 750 HD2 TYR 91 HD2 TYR 91 97.816 -1.397 -5.297 751 HE1 TYR 91 HE1 TYR 91 92.995 -1.918 -6.316 752 HE2 TYR 91 HE2 TYR 91 96.980 -0.959 -7.582 753 HH TYR 91 HH TYR 91 94.647 -0.240 -8.576 754 H ILE 92 HN ILE 92 97.160 -4.669 -0.954 755 HA ILE 92 HA ILE 92 98.707 -2.985 0.795 756 HB ILE 92 HB ILE 92 97.786 -5.851 1.106 757 1HG1 ILE 92 HG12 ILE 92 96.632 -3.250 2.166 758 2HG1 ILE 92 HG11 ILE 92 96.012 -4.112 0.757 759 1HG2 ILE 92 HG21 ILE 92 98.077 -5.288 3.576 760 2HG2 ILE 92 HG22 ILE 92 98.972 -3.860 3.057 761 3HG2 ILE 92 HG23 ILE 92 99.573 -5.470 2.664 762 1HD1 ILE 92 HD11 ILE 92 95.814 -6.154 2.332 763 2HD1 ILE 92 HD12 ILE 92 94.639 -4.855 2.538 764 3HD1 ILE 92 HD13 ILE 92 96.005 -4.992 3.645 765 H ASP 93 HN ASP 93 99.501 -5.692 -1.261 766 HA ASP 93 HA ASP 93 102.104 -6.154 0.026 767 1HB ASP 93 HB2 ASP 93 100.718 -7.275 -2.412 768 2HB ASP 93 HB1 ASP 93 102.393 -7.669 -2.033 769 H ILE 94 HN ILE 94 100.816 -4.148 -2.457 770 HA ILE 94 HA ILE 94 103.398 -3.763 -3.818 771 HB ILE 94 HB ILE 94 100.767 -2.304 -4.157 772 1HG1 ILE 94 HG12 ILE 94 101.960 -4.580 -5.775 773 2HG1 ILE 94 HG11 ILE 94 100.697 -4.791 -4.563 774 1HG2 ILE 94 HG21 ILE 94 102.574 -0.998 -5.066 775 2HG2 ILE 94 HG22 ILE 94 101.806 -1.812 -6.428 776 3HG2 ILE 94 HG23 ILE 94 103.325 -2.426 -5.774 777 1HD1 ILE 94 HD11 ILE 94 100.544 -3.302 -7.183 778 2HD1 ILE 94 HD12 ILE 94 99.376 -3.023 -5.894 779 3HD1 ILE 94 HD13 ILE 94 99.526 -4.624 -6.615 780 H ILE 95 HN ILE 95 101.539 -2.237 -1.301 781 HA ILE 95 HA ILE 95 103.056 0.284 -1.441 782 HB ILE 95 HB ILE 95 101.830 0.803 0.678 783 1HG1 ILE 95 HG12 ILE 95 100.688 -1.969 0.198 784 2HG1 ILE 95 HG11 ILE 95 101.629 -1.443 1.594 785 1HG2 ILE 95 HG21 ILE 95 99.704 1.105 -0.388 786 2HG2 ILE 95 HG22 ILE 95 99.980 -0.265 -1.463 787 3HG2 ILE 95 HG23 ILE 95 100.920 1.212 -1.660 788 1HD1 ILE 95 HD11 ILE 95 99.789 0.330 1.946 789 2HD1 ILE 95 HD12 ILE 95 99.377 -1.341 2.331 790 3HD1 ILE 95 HD13 ILE 95 98.829 -0.625 0.816 791 H LEU 96 HN LEU 96 103.029 -2.686 0.404 792 HA LEU 96 HA LEU 96 104.969 -1.817 2.377 793 1HB LEU 96 HB2 LEU 96 103.640 -4.368 1.568 794 2HB LEU 96 HB1 LEU 96 105.127 -4.513 2.506 795 HG LEU 96 HG LEU 96 102.950 -2.633 3.433 796 1HD1 LEU 96 HD11 LEU 96 102.190 -4.628 4.885 797 2HD1 LEU 96 HD12 LEU 96 103.022 -5.640 3.704 798 3HD1 LEU 96 HD13 LEU 96 101.679 -4.618 3.198 799 1HD2 LEU 96 HD21 LEU 96 105.074 -4.297 4.835 800 2HD2 LEU 96 HD22 LEU 96 103.914 -3.252 5.654 801 3HD2 LEU 96 HD23 LEU 96 105.122 -2.553 4.577 802 H LYS 97 HN LYS 97 105.131 -3.019 -0.848 803 HA LYS 97 HA LYS 97 107.881 -3.979 -0.677 804 1HB LYS 97 HB2 LYS 97 106.155 -4.835 -2.301 805 2HB LYS 97 HB1 LYS 97 106.271 -3.287 -3.133 806 1HG LYS 97 HG2 LYS 97 108.908 -3.904 -3.062 807 2HG LYS 97 HG1 LYS 97 108.245 -5.534 -3.027 808 1HD LYS 97 HD2 LYS 97 106.889 -4.994 -5.044 809 2HD LYS 97 HD1 LYS 97 107.659 -3.410 -5.092 810 1HE LYS 97 HE2 LYS 97 108.939 -6.116 -5.491 811 2HE LYS 97 HE1 LYS 97 108.926 -4.745 -6.600 812 1HZ LYS 97 HZ1 LYS 97 110.193 -3.513 -4.838 813 2HZ LYS 97 HZ2 LYS 97 111.039 -4.776 -5.597 814 3HZ LYS 97 HZ3 LYS 97 110.395 -4.996 -4.040 815 H LYS 98 HN LYS 98 106.297 -1.106 -2.118 816 HA LYS 98 HA LYS 98 108.709 0.068 -3.068 817 1HB LYS 98 HB2 LYS 98 106.626 0.818 -3.967 818 2HB LYS 98 HB1 LYS 98 105.995 1.215 -2.372 819 1HG LYS 98 HG2 LYS 98 108.535 2.588 -3.126 820 2HG LYS 98 HG1 LYS 98 107.119 3.064 -4.056 821 1HD LYS 98 HD2 LYS 98 105.998 3.917 -2.190 822 2HD LYS 98 HD1 LYS 98 106.909 2.921 -1.056 823 1HE LYS 98 HE2 LYS 98 108.877 4.284 -1.318 824 2HE LYS 98 HE1 LYS 98 108.165 5.152 -2.678 825 1HZ LYS 98 HZ1 LYS 98 106.379 5.853 -1.070 826 2HZ LYS 98 HZ2 LYS 98 107.913 6.538 -0.817 827 3HZ LYS 98 HZ3 LYS 98 107.373 5.267 0.173 828 H LYS 99 HN LYS 99 106.908 0.554 -0.010 829 HA LYS 99 HA LYS 99 108.899 2.449 0.956 830 1HB LYS 99 HB2 LYS 99 107.593 2.579 2.942 831 2HB LYS 99 HB1 LYS 99 106.443 2.438 1.615 832 1HG LYS 99 HG2 LYS 99 106.524 -0.102 2.059 833 2HG LYS 99 HG1 LYS 99 107.297 0.317 3.585 834 1HD LYS 99 HD2 LYS 99 104.623 1.423 2.671 835 2HD LYS 99 HD1 LYS 99 104.804 0.059 3.771 836 1HE LYS 99 HE2 LYS 99 105.691 2.917 4.234 837 2HE LYS 99 HE1 LYS 99 104.471 2.015 5.127 838 1HZ LYS 99 HZ1 LYS 99 106.639 0.433 5.341 839 2HZ LYS 99 HZ2 LYS 99 106.138 1.556 6.513 840 3HZ LYS 99 HZ3 LYS 99 107.339 1.977 5.388 841 H LYS 100 HN LYS 100 108.886 -0.877 0.634 842 HA LYS 100 HA LYS 100 110.213 -2.574 1.569 843 1HB LYS 100 HB2 LYS 100 111.952 -0.846 0.865 844 2HB LYS 100 HB1 LYS 100 111.959 -0.297 2.541 845 1HG LYS 100 HG2 LYS 100 112.405 -2.748 3.172 846 2HG LYS 100 HG1 LYS 100 112.762 -3.004 1.463 847 1HD LYS 100 HD2 LYS 100 114.144 -1.024 3.301 848 2HD LYS 100 HD1 LYS 100 114.836 -2.521 2.674 849 1HE LYS 100 HE2 LYS 100 114.332 -1.551 0.331 850 2HE LYS 100 HE1 LYS 100 114.126 -0.008 1.159 851 1HZ LYS 100 HZ1 LYS 100 116.550 -1.721 1.159 852 2HZ LYS 100 HZ2 LYS 100 116.359 -0.339 2.128 853 3HZ LYS 100 HZ3 LYS 100 116.378 -0.196 0.436 854 1H SER 1 HT1 SER 1 90.014 -19.487 9.975 855 2H SER 1 HT2 SER 1 90.273 -18.171 8.932 856 3H SER 1 HT3 SER 1 88.803 -19.021 8.882 857 HA SER 1 HA SER 1 87.919 -17.819 10.509 858 1HB SER 1 HB2 SER 1 89.148 -17.450 12.642 859 2HB SER 1 HB1 SER 1 89.158 -19.142 12.154 860 HG SER 1 HG SER 1 91.218 -17.421 11.316 861 H TRP 2 HN TRP 2 87.575 -15.783 9.738 862 HA TRP 2 HA TRP 2 88.029 -13.583 9.030 863 1HB TRP 2 HB2 TRP 2 89.649 -14.048 11.510 864 2HB TRP 2 HB1 TRP 2 89.995 -12.585 10.598 865 HD1 TRP 2 HD1 TRP 2 87.538 -14.080 12.974 866 HE1 TRP 2 HE1 TRP 2 85.659 -12.382 13.466 867 HE3 TRP 2 HE3 TRP 2 88.527 -10.614 9.368 868 HZ2 TRP 2 HZ2 TRP 2 84.711 -9.872 12.459 869 HZ3 TRP 2 HZ3 TRP 2 87.132 -8.577 9.158 870 HH2 TRP 2 HH2 TRP 2 85.230 -8.203 10.696 871 H VAL 3 HN VAL 3 90.139 -12.093 8.563 872 HA VAL 3 HA VAL 3 92.373 -13.627 7.443 873 HB VAL 3 HB VAL 3 90.899 -13.780 5.564 874 1HG1 VAL 3 HG11 VAL 3 89.716 -11.814 4.670 875 2HG1 VAL 3 HG12 VAL 3 90.392 -10.826 5.965 876 3HG1 VAL 3 HG13 VAL 3 89.255 -12.123 6.344 877 1HG2 VAL 3 HG21 VAL 3 93.300 -12.809 5.252 878 2HG2 VAL 3 HG22 VAL 3 92.474 -11.283 4.925 879 3HG2 VAL 3 HG23 VAL 3 92.168 -12.686 3.901 880 1HN PTR 4 HN PTR 4 94.214 -12.396 7.527 881 HA PTR 4 HA PTR 4 93.901 -9.486 8.226 882 1HB PTR 4 HB1 PTR 4 96.175 -9.885 9.380 883 2HB PTR 4 HB2 PTR 4 95.823 -11.604 9.202 884 HD1 PTR 4 HD1 PTR 4 93.316 -12.274 9.937 885 HD2 PTR 4 HD2 PTR 4 95.493 -8.853 11.369 886 HE1 PTR 4 HE1 PTR 4 91.877 -12.199 11.952 887 HE2 PTR 4 HE2 PTR 4 94.051 -8.781 13.384 888 H SER 5 HN SER 5 96.300 -8.487 7.922 889 HA SER 5 HA SER 5 97.267 -9.251 5.191 890 1HB SER 5 HB2 SER 5 96.732 -7.164 4.432 891 2HB SER 5 HB1 SER 5 95.960 -6.843 5.978 892 HG SER 5 HG SER 5 98.740 -6.557 5.472 893 HA PRO 6 HA PRO 6 101.327 -9.249 6.886 894 1HB PRO 6 HB2 PRO 6 102.654 -7.524 5.019 895 2HB PRO 6 HB1 PRO 6 102.556 -9.288 4.953 896 1HG PRO 6 HG2 PRO 6 101.133 -7.323 3.302 897 2HG PRO 6 HG1 PRO 6 101.246 -9.075 3.082 898 1HD PRO 6 HD2 PRO 6 98.961 -7.627 3.989 899 2HD PRO 6 HD1 PRO 6 99.168 -9.391 3.985 900 H LEU 7 HN LEU 7 99.791 -6.180 6.199 901 HA LEU 7 HA LEU 7 101.512 -4.304 7.300 902 1HB LEU 7 HB2 LEU 7 98.513 -4.514 7.694 903 2HB LEU 7 HB1 LEU 7 99.463 -3.077 8.053 904 HG LEU 7 HG LEU 7 99.569 -4.343 5.311 905 1HD1 LEU 7 HD11 LEU 7 97.508 -2.412 6.400 906 2HD1 LEU 7 HD12 LEU 7 97.221 -3.963 5.613 907 3HD1 LEU 7 HD13 LEU 7 97.828 -2.598 4.675 908 1HD2 LEU 7 HD21 LEU 7 100.014 -1.924 4.696 909 2HD2 LEU 7 HD22 LEU 7 101.255 -2.653 5.709 910 3HD2 LEU 7 HD23 LEU 7 100.068 -1.558 6.418 911 H HIS 8 HN HIS 8 101.381 -3.294 9.539 912 HA HIS 8 HA HIS 8 102.091 -5.177 11.534 913 1HB HIS 8 HB2 HIS 8 100.955 -2.416 12.043 914 2HB HIS 8 HB1 HIS 8 102.061 -3.326 13.070 915 HD1 HIS 8 HD1 HIS 8 104.543 -3.546 12.269 916 HD2 HIS 8 HD2 HIS 8 102.181 -1.117 9.840 917 HE1 HIS 8 HE1 HIS 8 106.133 -2.287 10.752
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